++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:51:06 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.ins Phases from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi Native data from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.hkl Listing output to ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.lst Phases output to ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phs Poly-Ala trace output to ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 42 21 2 Allowed origin shift code: 9 68679 Reflections read from file ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi 68679 Reflections read from file ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.hkl 68679 Unique data, highest resolution = 1.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000036h^2 -0.000036k^2 +0.000111l^2 +0.000000kl +0.000000hl +0.000000hk 18 Reflections with d > 1.800 and 0 in range 1.800 > d > 1.600 added Density sharpening factor set to 1.35 Fourier grid = 256 x 256 x 46 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.723 = 0.291, Contrast = 0.101, Connect. = 0.577 for dens.mod. cycle 1 = 0.300, Contrast = 0.298, Connect. = 0.634 for dens.mod. cycle 2 = 0.300, Contrast = 0.554, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.718, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.742, Connect. = 0.817 for dens.mod. cycle 6 = 0.300, Contrast = 0.755, Connect. = 0.821 for dens.mod. cycle 7 = 0.300, Contrast = 0.763, Connect. = 0.823 for dens.mod. cycle 8 = 0.300, Contrast = 0.768, Connect. = 0.825 for dens.mod. cycle 9 = 0.300, Contrast = 0.771, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2464 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 27.434 2.312 0.851 0.388 0.929 0.464 CB 1.469 B: 101 65.736 2.328 1.036 0.465 0.890 0.650 CB 1.615 C: 66 52.599 2.309 0.827 0.554 0.892 0.662 CB 1.644 28 residues pruned to eliminate duplicates D: 13 39.292 2.243 1.113 0.918 1.000 0.917 CA 1.687 13 residues pruned to eliminate duplicates E: 12 45.887 2.444 1.119 0.911 1.000 0.818 CB 1.893 12 residues pruned to eliminate duplicates F: 11 32.602 2.335 1.238 0.619 1.000 0.900 CB 1.762 13 residues pruned to eliminate duplicates G: 11 25.036 2.414 1.227 0.590 0.900 0.700 CB 1.501 11 residues pruned to eliminate duplicates H: 10 11.741 2.058 0.861 0.400 0.778 0.556 CA 1.460 11 residues pruned to eliminate duplicates I: 16 46.072 2.307 1.110 0.911 1.000 0.800 CA 1.731 16 residues pruned to eliminate duplicates J: 79 65.538 2.392 0.936 0.506 0.949 0.615 CB 1.679 66 residues pruned to eliminate duplicates K: 8 11.685 2.112 0.168 0.775 1.000 0.857 CB 1.404 L: 91 50.426 2.258 0.981 0.382 0.867 0.556 CB 1.555 101 residues pruned to eliminate duplicates M: 24 25.297 2.410 0.958 0.331 0.826 0.565 CB 1.628 24 residues pruned to eliminate duplicates N: 16 45.137 2.314 1.246 0.921 0.933 0.600 CA 1.691 16 residues pruned to eliminate duplicates O: 15 30.840 2.122 0.627 0.923 1.000 0.786 CB 1.678 15 residues pruned to eliminate duplicates P: 7 17.786 2.203 0.646 0.710 1.000 0.667 CB 1.655 8 residues pruned to eliminate duplicates Q: 24 51.246 2.438 1.235 0.655 0.913 0.696 CB 1.859 24 residues pruned to eliminate duplicates R: 13 39.693 2.260 1.340 0.917 0.917 0.833 CA 1.668 13 residues pruned to eliminate duplicates S: 15 30.446 2.124 0.660 0.901 1.000 0.857 CB 1.648 15 residues pruned to eliminate duplicates T: 15 11.007 1.931 0.524 0.416 0.857 0.500 CB 1.274 15 residues pruned to eliminate duplicates U: 83 61.109 2.361 1.119 0.451 0.890 0.634 CB 1.593 83 residues pruned to eliminate duplicates V: 13 43.031 2.168 1.387 0.891 1.000 0.833 CA 1.725 13 residues pruned to eliminate duplicates W: 15 26.812 2.079 0.666 0.862 1.000 1.000 CB 1.519 X: 14 44.018 2.135 1.434 0.928 1.000 0.923 CB 1.645 14 residues pruned to eliminate duplicates Y: 11 59.950 2.544 1.517 0.928 1.000 0.800 CA 2.074 11 residues pruned to eliminate duplicates Z: 31 39.331 2.384 1.016 0.537 0.933 0.667 CB 1.544 32 residues pruned to eliminate duplicates Z: 74 43.969 2.281 0.904 0.403 0.890 0.589 CB 1.473 74 residues pruned to eliminate duplicates Z: 12 9.241 2.013 0.514 0.374 0.727 0.455 CA 1.439 Z: 15 27.773 2.051 0.580 0.918 1.000 0.786 CB 1.615 15 residues pruned to eliminate duplicates Z: 10 24.801 2.364 1.018 0.570 1.000 0.778 CB 1.620 10 residues pruned to eliminate duplicates Z: 17 28.291 2.252 1.228 0.386 0.938 0.438 CB 1.697 12 residues pruned to eliminate duplicates Z: 15 39.993 2.373 0.985 0.899 0.929 0.714 CB 1.747 Z: 8 12.178 2.043 0.895 0.592 0.857 0.857 CB 1.270 8 residues pruned to eliminate duplicates Z: 31 41.457 2.391 1.056 0.533 0.967 0.633 CB 1.542 31 residues pruned to eliminate duplicates Z: 20 33.067 2.169 0.717 0.792 1.000 0.632 CB 1.577 16 residues pruned to eliminate duplicates Z: 26 24.225 2.249 0.917 0.315 0.800 0.360 CB 1.724 19 residues pruned to eliminate duplicates Z: 76 59.621 2.387 0.938 0.488 0.907 0.640 CB 1.662 53 residues pruned to eliminate duplicates Z: 48 49.335 2.411 0.961 0.481 0.894 0.574 CB 1.736 48 residues pruned to eliminate duplicates Z: 11 28.819 2.175 1.280 0.665 1.000 0.700 CB 1.579 11 residues pruned to eliminate duplicates Z: 22 30.352 2.046 0.919 0.619 0.905 0.714 CB 1.667 Z: 38 29.830 2.271 0.980 0.361 0.811 0.270 CB 1.562 38 residues pruned to eliminate duplicates Z: 8 6.523 1.982 0.917 0.476 0.571 0.571 CB 1.163 8 residues pruned to eliminate duplicates Z: 12 43.070 2.385 1.164 0.885 1.000 0.818 CA 1.816 12 residues pruned to eliminate duplicates Z: 16 21.645 2.013 0.458 0.897 0.933 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 17 42.504 2.271 1.009 0.906 0.938 0.750 CA 1.767 17 residues pruned to eliminate duplicates Z: 8 14.205 2.311 0.590 0.581 0.857 0.714 CB 1.576 Z: 76 48.200 2.235 0.999 0.383 0.893 0.640 CB 1.580 27 residues pruned to eliminate duplicates Z: 58 58.385 2.316 1.102 0.588 0.947 0.719 CB 1.541 57 residues pruned to eliminate duplicates Z: 17 43.180 2.359 0.970 0.897 0.938 0.750 CB 1.773 17 residues pruned to eliminate duplicates Z: 58 58.613 2.394 1.055 0.495 0.930 0.614 CB 1.706 58 residues pruned to eliminate duplicates Z: 58 45.905 2.338 1.006 0.441 0.825 0.491 CB 1.671 58 residues pruned to eliminate duplicates Z: 16 41.760 2.349 0.905 0.921 0.933 0.867 CB 1.816 16 residues pruned to eliminate duplicates Z: 43 55.613 2.426 1.066 0.558 0.976 0.595 CB 1.658 43 residues pruned to eliminate duplicates Z: 55 60.883 2.374 1.091 0.568 0.981 0.722 CB 1.592 57 residues pruned to eliminate duplicates Z: 11 8.478 2.035 0.600 0.350 0.700 0.400 CA 1.384 Z: 10 24.570 2.548 1.073 0.461 1.000 0.667 CB 1.614 10 residues pruned to eliminate duplicates Z: 79 67.727 2.383 1.153 0.530 0.885 0.641 CB 1.640 79 residues pruned to eliminate duplicates Z: 16 24.656 1.985 0.573 0.882 1.000 0.867 CB 1.476 16 residues pruned to eliminate duplicates Z: 85 50.375 2.248 0.994 0.396 0.893 0.619 CB 1.533 86 residues pruned to eliminate duplicates Z: 15 26.506 2.126 0.464 0.909 1.000 0.714 CB 1.615 15 residues pruned to eliminate duplicates Z: 33 39.599 2.306 1.191 0.492 0.938 0.656 CB 1.489 33 residues pruned to eliminate duplicates Z: 43 42.529 2.388 0.993 0.421 0.929 0.548 CB 1.613 43 residues pruned to eliminate duplicates Z: 17 37.881 2.341 0.869 0.893 0.875 0.750 CB 1.775 17 residues pruned to eliminate duplicates Z: 16 28.323 2.052 0.660 0.911 1.000 0.933 CB 1.521 16 residues pruned to eliminate duplicates Z: 79 56.394 2.345 0.993 0.500 0.846 0.615 CB 1.615 79 residues pruned to eliminate duplicates Z: 24 42.163 2.368 1.076 0.589 0.913 0.609 CB 1.798 24 residues pruned to eliminate duplicates Z: 15 29.740 2.073 0.662 0.919 1.000 0.857 CB 1.626 15 residues pruned to eliminate duplicates Z: 33 34.963 2.272 1.033 0.507 0.938 0.656 CB 1.418 33 residues pruned to eliminate duplicates Z: 6 6.537 1.754 0.927 0.414 0.800 0.400 O 1.182 Z: 17 34.594 2.220 0.902 0.912 0.938 0.562 CB 1.548 17 residues pruned to eliminate duplicates Z: 16 28.151 2.045 0.728 0.923 0.933 0.867 CB 1.549 16 residues pruned to eliminate duplicates Z: 15 29.524 2.143 0.585 0.941 1.000 0.929 CB 1.612 15 residues pruned to eliminate duplicates Z: 27 20.131 2.175 0.891 0.320 0.808 0.538 CB 1.449 27 residues pruned to eliminate duplicates Z: 13 33.378 2.245 0.838 0.926 1.000 1.000 CA 1.637 13 residues pruned to eliminate duplicates Z: 10 18.289 2.078 0.498 0.895 1.000 0.889 CB 1.405 10 residues pruned to eliminate duplicates Z: 68 45.258 2.297 0.998 0.389 0.851 0.552 CB 1.594 68 residues pruned to eliminate duplicates Z: 15 26.727 2.141 0.510 0.906 1.000 0.929 CB 1.572 15 residues pruned to eliminate duplicates Z: 34 35.968 2.147 0.954 0.466 0.970 0.636 CB 1.594 34 residues pruned to eliminate duplicates Z: 63 47.052 2.296 1.040 0.425 0.903 0.694 CB 1.526 63 residues pruned to eliminate duplicates Z: 16 42.196 2.294 0.876 0.905 1.000 0.867 CB 1.801 16 residues pruned to eliminate duplicates Z: 18 19.098 2.057 0.628 0.464 0.882 0.588 CA 1.625 Z: 9 18.746 2.093 0.385 0.874 1.000 0.875 CA 1.663 9 residues pruned to eliminate duplicates Z: 6 11.690 1.963 1.023 0.650 1.000 0.800 CB 1.145 Z: 13 41.566 2.162 1.415 0.924 1.000 0.750 CA 1.614 13 residues pruned to eliminate duplicates Z: 55 48.403 2.307 0.984 0.545 0.926 0.630 CB 1.488 55 residues pruned to eliminate duplicates Z: 17 34.233 2.161 1.203 0.830 0.938 0.625 CB 1.441 17 residues pruned to eliminate duplicates Z: 16 36.041 2.340 0.727 0.879 0.933 0.733 CB 1.789 16 residues pruned to eliminate duplicates Z: 16 30.067 2.049 0.921 0.914 0.867 0.800 CB 1.610 16 residues pruned to eliminate duplicates Z: 69 43.866 2.201 0.997 0.379 0.853 0.603 CB 1.614 69 residues pruned to eliminate duplicates Z: 9 16.129 2.061 0.416 0.877 1.000 0.875 CA 1.419 9 residues pruned to eliminate duplicates Z: 16 36.580 2.368 0.785 0.895 0.933 0.800 CA 1.717 16 residues pruned to eliminate duplicates Z: 21 24.354 2.207 1.171 0.355 0.850 0.550 CB 1.563 21 residues pruned to eliminate duplicates Z: 8 20.694 2.301 1.387 0.622 0.857 0.857 CB 1.482 8 residues pruned to eliminate duplicates Z: 105 62.139 2.335 1.017 0.426 0.894 0.606 CB 1.562 105 residues pruned to eliminate duplicates Z: 17 35.751 2.259 0.750 0.903 0.938 0.750 CB 1.718 17 residues pruned to eliminate duplicates Z: 50 40.880 2.222 1.020 0.433 0.898 0.633 CB 1.553 50 residues pruned to eliminate duplicates Z: 13 39.215 2.235 1.167 0.905 1.000 0.750 CA 1.664 13 residues pruned to eliminate duplicates Z: 7 11.722 1.751 0.628 0.653 1.000 0.667 CA 1.456 7 residues pruned to eliminate duplicates Z: 81 67.380 2.314 1.154 0.468 0.925 0.637 CB 1.688 81 residues pruned to eliminate duplicates Z: 24 24.526 2.296 0.680 0.416 0.826 0.783 CB 1.752 27 residues pruned to eliminate duplicates Z: 17 21.937 2.300 0.631 0.391 0.938 0.562 CB 1.749 19 residues pruned to eliminate duplicates Z: 71 45.824 2.242 0.980 0.423 0.886 0.657 CB 1.509 71 residues pruned to eliminate duplicates Z: 16 41.149 2.356 0.928 0.896 0.933 0.733 CA 1.795 16 residues pruned to eliminate duplicates Z: 16 36.621 2.364 0.750 0.901 0.933 0.800 CA 1.748 16 residues pruned to eliminate duplicates Z: 13 31.858 2.304 0.739 0.928 1.000 0.917 CB 1.606 14 residues pruned to eliminate duplicates Z: 61 53.228 2.311 0.978 0.504 0.900 0.650 CB 1.663 61 residues pruned to eliminate duplicates Z: 12 40.786 2.434 0.971 0.910 1.000 1.000 CA 1.818 12 residues pruned to eliminate duplicates Z: 15 32.961 2.069 0.858 0.890 1.000 0.786 CB 1.650 15 residues pruned to eliminate duplicates Z: 14 28.020 2.213 0.636 0.909 1.000 0.923 CB 1.524 13 residues pruned to eliminate duplicates Z: 11 56.128 2.511 1.441 0.922 1.000 0.800 CB 2.037 11 residues pruned to eliminate duplicates Z: 11 15.379 2.067 0.952 0.568 0.900 0.700 CB 1.254 3 residues pruned to eliminate duplicates Z: 42 35.302 2.284 0.769 0.467 0.878 0.463 CB 1.607 42 residues pruned to eliminate duplicates Z: 64 47.797 2.308 0.986 0.417 0.905 0.683 CB 1.583 64 residues pruned to eliminate duplicates Z: 9 18.677 2.103 0.492 0.903 1.000 1.000 CA 1.499 9 residues pruned to eliminate duplicates Z: 44 37.043 2.292 0.824 0.462 0.837 0.488 CB 1.678 44 residues pruned to eliminate duplicates Z: 63 47.718 2.258 1.116 0.401 0.903 0.645 CB 1.558 63 residues pruned to eliminate duplicates Z: 17 35.913 2.241 0.882 0.854 0.938 0.688 CB 1.677 17 residues pruned to eliminate duplicates Z: 17 19.624 2.210 0.661 0.409 0.812 0.688 CA 1.810 17 residues pruned to eliminate duplicates Z: 10 10.714 2.065 0.349 0.534 0.778 0.667 CB 1.594 10 residues pruned to eliminate duplicates Z: 32 43.007 2.333 1.069 0.540 0.935 0.645 CB 1.646 32 residues pruned to eliminate duplicates Z: 58 47.762 2.385 1.001 0.450 0.860 0.614 CB 1.624 58 residues pruned to eliminate duplicates Z: 11 17.121 1.964 0.730 0.752 0.900 0.800 CB 1.414 11 residues pruned to eliminate duplicates Z: 20 22.159 2.192 0.916 0.433 0.895 0.579 CB 1.449 26 residues pruned to eliminate duplicates Z: 20 15.940 2.022 0.540 0.416 0.842 0.579 CA 1.523 20 residues pruned to eliminate duplicates Z: 11 17.595 1.919 0.643 0.770 1.000 0.800 CB 1.390 11 residues pruned to eliminate duplicates Z: 13 31.751 2.206 1.132 0.843 0.917 0.917 CB 1.583 13 residues pruned to eliminate duplicates Z: 78 45.768 2.244 0.967 0.388 0.857 0.636 CB 1.554 78 residues pruned to eliminate duplicates Z: 17 33.753 2.202 0.631 0.885 1.000 1.000 CA 1.697 17 residues pruned to eliminate duplicates Z: 32 39.624 2.348 1.007 0.524 0.903 0.613 CB 1.633 32 residues pruned to eliminate duplicates Z: 45 44.012 2.391 0.964 0.495 0.909 0.523 CB 1.561 45 residues pruned to eliminate duplicates Z: 62 43.567 2.235 0.954 0.409 0.918 0.541 CB 1.530 62 residues pruned to eliminate duplicates Z: 17 40.006 2.227 0.831 0.927 1.000 1.000 CB 1.719 17 residues pruned to eliminate duplicates Z: 7 6.487 1.593 0.955 0.473 1.000 0.833 CB 0.874 Z: 53 35.357 2.229 0.839 0.376 0.923 0.577 CB 1.480 53 residues pruned to eliminate duplicates Z: 60 47.761 2.270 1.079 0.424 0.898 0.610 CB 1.586 60 residues pruned to eliminate duplicates Z: 6 6.532 2.172 0.198 0.636 0.800 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 50 44.061 2.268 1.026 0.411 0.939 0.571 CB 1.601 50 residues pruned to eliminate duplicates Z: 38 36.931 2.278 0.837 0.520 0.919 0.649 CB 1.549 38 residues pruned to eliminate duplicates Z: 61 42.818 2.357 0.909 0.413 0.867 0.533 CB 1.553 61 residues pruned to eliminate duplicates Z: 108 61.102 2.284 0.883 0.495 0.879 0.682 CB 1.571 108 residues pruned to eliminate duplicates Z: 58 56.072 2.339 1.016 0.510 0.930 0.632 CB 1.676 58 residues pruned to eliminate duplicates Z: 16 38.816 2.306 0.815 0.916 1.000 1.000 CA 1.691 16 residues pruned to eliminate duplicates Z: 19 25.903 2.247 1.220 0.414 0.944 0.667 CB 1.418 19 residues pruned to eliminate duplicates Z: 17 16.710 2.092 0.657 0.394 0.875 0.812 CA 1.541 17 residues pruned to eliminate duplicates Z: 81 42.889 2.201 0.838 0.386 0.850 0.550 CB 1.573 81 residues pruned to eliminate duplicates Z: 70 52.197 2.281 1.080 0.412 0.928 0.580 CB 1.566 70 residues pruned to eliminate duplicates Z: 70 50.102 2.282 1.043 0.412 0.884 0.594 CB 1.605 70 residues pruned to eliminate duplicates Z: 17 16.315 2.060 0.699 0.356 0.812 0.625 CB 1.674 17 residues pruned to eliminate duplicates Z: 18 31.355 2.339 0.675 0.693 0.882 0.706 CA 1.845 18 residues pruned to eliminate duplicates Z: 45 46.083 2.229 1.112 0.467 0.977 0.727 CB 1.561 45 residues pruned to eliminate duplicates Z: 16 12.855 2.010 0.542 0.349 0.800 0.667 CA 1.577 16 residues pruned to eliminate duplicates Z: 12 16.707 1.821 0.439 0.916 0.909 0.909 CB 1.493 12 residues pruned to eliminate duplicates Z: 14 30.690 2.196 0.795 0.891 1.000 0.846 CB 1.553 14 residues pruned to eliminate duplicates Z: 14 35.060 2.146 1.301 0.915 0.923 0.923 CB 1.507 14 residues pruned to eliminate duplicates Z: 40 38.156 2.092 1.173 0.542 0.897 0.692 CB 1.438 43 residues pruned to eliminate duplicates Z: 22 27.613 2.093 0.850 0.642 0.952 0.762 CB 1.431 22 residues pruned to eliminate duplicates Z: 25 19.136 2.206 0.788 0.321 0.875 0.625 CB 1.380 25 residues pruned to eliminate duplicates Z: 12 19.339 1.879 0.404 0.942 1.000 1.000 CB 1.532 12 residues pruned to eliminate duplicates Z: 10 9.959 2.141 0.490 0.269 0.778 0.556 CA 1.741 10 residues pruned to eliminate duplicates Z: 71 44.170 2.294 0.974 0.388 0.871 0.571 CB 1.507 71 residues pruned to eliminate duplicates Z: 52 40.998 2.286 0.990 0.391 0.902 0.569 CB 1.571 52 residues pruned to eliminate duplicates Z: 10 15.619 2.161 1.334 0.438 0.778 0.667 CB 1.415 10 residues pruned to eliminate duplicates Z: 11 20.101 2.019 0.496 0.918 1.000 0.800 CB 1.484 11 residues pruned to eliminate duplicates Z: 40 34.362 2.208 0.725 0.518 0.872 0.615 CB 1.628 40 residues pruned to eliminate duplicates Z: 72 48.687 2.259 1.034 0.390 0.915 0.535 CB 1.544 72 residues pruned to eliminate duplicates Z: 17 36.264 2.328 0.817 0.903 0.875 0.812 CB 1.746 17 residues pruned to eliminate duplicates Z: 14 34.769 2.235 0.986 0.901 0.923 0.923 CB 1.680 15 residues pruned to eliminate duplicates Z: 6 4.218 1.715 0.043 0.435 1.000 0.600 CB 1.128 Z: 12 6.370 1.612 0.578 0.356 0.727 0.364 CA 1.214 10 residues pruned to eliminate duplicates Z: 8 10.605 2.173 0.675 0.620 0.714 0.714 CA 1.376 8 residues pruned to eliminate duplicates Z: 11 17.905 2.027 0.393 0.912 1.000 0.900 CB 1.420 11 residues pruned to eliminate duplicates Z: 15 7.311 1.833 0.427 0.448 0.786 0.500 CB 1.003 12 residues pruned to eliminate duplicates Z: 73 47.007 2.288 1.059 0.398 0.861 0.639 CB 1.521 73 residues pruned to eliminate duplicates Z: 67 46.045 2.194 1.068 0.415 0.894 0.621 CB 1.527 67 residues pruned to eliminate duplicates Z: 8 11.215 2.198 0.037 0.893 0.857 0.857 CA 1.557 8 residues pruned to eliminate duplicates Z: 62 63.342 2.394 0.989 0.584 0.967 0.689 CB 1.624 60 residues pruned to eliminate duplicates Z: 75 46.552 2.267 1.017 0.376 0.892 0.595 CB 1.514 75 residues pruned to eliminate duplicates Z: 10 14.536 1.809 0.761 0.822 0.889 0.889 CB 1.294 10 residues pruned to eliminate duplicates Z: 16 34.002 2.292 0.781 0.889 0.933 0.667 CB 1.660 16 residues pruned to eliminate duplicates Z: 7 5.414 1.769 0.513 0.529 0.833 0.667 CB 0.962 7 residues pruned to eliminate duplicates Z: 31 35.598 2.263 1.023 0.470 0.900 0.567 CB 1.627 31 residues pruned to eliminate duplicates Z: 14 10.604 1.841 0.547 0.452 0.846 0.538 CB 1.282 18 residues pruned to eliminate duplicates Z: 12 18.678 2.097 0.937 0.424 0.909 0.545 CB 1.650 12 residues pruned to eliminate duplicates Z: 15 33.514 2.111 1.024 0.877 0.929 0.857 CB 1.639 15 residues pruned to eliminate duplicates Z: 73 47.338 2.276 0.983 0.377 0.889 0.625 CB 1.585 73 residues pruned to eliminate duplicates Z: 34 35.362 2.086 0.869 0.636 0.909 0.879 CB 1.529 34 residues pruned to eliminate duplicates Z: 19 16.994 1.967 1.218 0.398 0.778 0.611 CB 1.314 19 residues pruned to eliminate duplicates Z: 8 8.032 1.658 0.339 0.583 1.000 0.143 CA 1.263 8 residues pruned to eliminate duplicates Z: 6 5.548 1.871 0.757 0.478 1.000 0.800 CB 0.772 6 residues pruned to eliminate duplicates Z: 39 36.861 2.190 0.747 0.517 0.947 0.605 CB 1.623 39 residues pruned to eliminate duplicates Z: 7 8.184 1.644 0.305 0.637 1.000 0.833 CA 1.369 7 residues pruned to eliminate duplicates Z: 16 41.729 2.221 1.096 0.898 0.933 0.467 CA 1.773 16 residues pruned to eliminate duplicates Z: 6 4.083 1.535 0.281 0.484 0.800 0.800 CA 1.179 Z: 11 18.170 1.983 0.480 0.910 1.000 0.900 CB 1.388 11 residues pruned to eliminate duplicates Z: 20 16.901 2.328 0.839 0.304 0.789 0.421 CB 1.427 20 residues pruned to eliminate duplicates Z: 14 9.244 2.015 0.515 0.550 0.769 0.538 CB 1.040 14 residues pruned to eliminate duplicates Z: 18 22.730 2.192 0.935 0.466 0.882 0.765 CB 1.525 18 residues pruned to eliminate duplicates Z: 58 43.122 2.239 1.208 0.395 0.860 0.509 CB 1.502 58 residues pruned to eliminate duplicates Z: 8 14.343 2.268 0.701 0.357 0.857 0.714 CA 1.913 8 residues pruned to eliminate duplicates Z: 11 22.295 2.028 0.696 0.924 1.000 0.900 CB 1.439 11 residues pruned to eliminate duplicates Z: 10 18.673 1.990 0.667 0.895 1.000 1.000 CA 1.345 10 residues pruned to eliminate duplicates Z: 11 23.172 2.034 0.735 0.913 1.000 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 53 39.973 2.246 1.003 0.425 0.846 0.673 CB 1.573 53 residues pruned to eliminate duplicates Z: 32 33.561 2.193 0.732 0.595 0.968 0.548 CB 1.498 32 residues pruned to eliminate duplicates Z: 18 27.711 2.273 1.277 0.569 0.824 0.529 CB 1.476 18 residues pruned to eliminate duplicates Z: 60 46.393 2.259 0.945 0.518 0.932 0.678 CB 1.449 60 residues pruned to eliminate duplicates Z: 15 26.199 2.073 0.599 0.825 1.000 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 48 43.185 2.234 0.991 0.445 0.936 0.660 CB 1.601 48 residues pruned to eliminate duplicates Z: 44 34.729 2.179 0.978 0.482 0.814 0.442 CB 1.538 44 residues pruned to eliminate duplicates Z: 8 25.393 2.280 1.601 0.514 1.000 0.571 CB 1.596 8 residues pruned to eliminate duplicates Z: 6 16.089 2.172 0.733 0.611 1.000 0.800 CA 1.721 6 residues pruned to eliminate duplicates Z: 6 5.261 1.702 0.408 0.695 0.800 0.400 CA 1.027 6 residues pruned to eliminate duplicates Z: 8 4.934 1.796 0.711 0.268 0.571 0.429 CB 1.383 8 residues pruned to eliminate duplicates Z: 15 15.922 1.991 0.864 0.405 0.857 0.571 CB 1.478 15 residues pruned to eliminate duplicates Z: 11 21.928 1.966 0.787 0.913 1.000 0.700 CB 1.397 11 residues pruned to eliminate duplicates Z: 10 9.727 1.984 0.839 0.231 0.778 0.667 CA 1.563 10 residues pruned to eliminate duplicates Z: 64 44.351 2.288 0.948 0.408 0.905 0.714 CB 1.527 64 residues pruned to eliminate duplicates Z: 60 50.389 2.275 1.037 0.440 0.932 0.610 CB 1.617 60 residues pruned to eliminate duplicates Z: 22 16.528 1.912 1.055 0.416 0.857 0.476 CB 1.169 22 residues pruned to eliminate duplicates Z: 57 58.196 2.349 1.131 0.523 0.929 0.696 CB 1.636 57 residues pruned to eliminate duplicates Z: 11 24.577 2.026 0.776 0.906 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 12 11.336 1.841 0.528 0.509 0.909 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 11 25.668 2.025 0.871 0.924 1.000 0.900 CB 1.504 11 residues pruned to eliminate duplicates Z: 35 42.769 2.335 0.790 0.618 0.941 0.588 CB 1.667 35 residues pruned to eliminate duplicates Z: 14 25.894 2.323 0.936 0.621 0.846 0.615 CB 1.684 14 residues pruned to eliminate duplicates Z: 8 12.380 2.014 0.534 0.679 0.857 0.714 CB 1.499 8 residues pruned to eliminate duplicates Z: 72 59.601 2.373 0.953 0.512 0.915 0.648 CB 1.646 72 residues pruned to eliminate duplicates Z: 14 22.671 2.171 0.704 0.896 0.846 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 30 45.287 2.282 1.091 0.647 1.000 0.655 CB 1.536 30 residues pruned to eliminate duplicates Z: 15 32.513 2.074 0.946 0.908 1.000 0.857 CB 1.529 15 residues pruned to eliminate duplicates Z: 12 23.728 1.916 0.754 0.904 1.000 0.636 CA 1.517 12 residues pruned to eliminate duplicates Z: 6 19.235 2.244 1.209 0.759 1.000 1.000 CB 1.379 6 residues pruned to eliminate duplicates Z: 14 15.214 2.057 0.841 0.423 0.923 0.538 CB 1.308 14 residues pruned to eliminate duplicates Z: 15 45.692 2.368 1.292 0.919 0.929 0.643 CB 1.708 15 residues pruned to eliminate duplicates Z: 15 42.954 2.410 1.106 0.946 0.857 0.857 CB 1.825 15 residues pruned to eliminate duplicates Z: 12 19.725 1.882 0.402 0.920 1.000 0.909 CA 1.588 12 residues pruned to eliminate duplicates Z: 70 44.274 2.214 1.093 0.381 0.870 0.638 CB 1.502 70 residues pruned to eliminate duplicates Z: 49 41.447 2.165 0.966 0.486 0.833 0.583 CB 1.710 49 residues pruned to eliminate duplicates Z: 23 19.817 2.117 0.818 0.457 0.773 0.318 CB 1.485 23 residues pruned to eliminate duplicates Z: 51 48.814 2.367 1.043 0.496 0.860 0.580 CB 1.667 51 residues pruned to eliminate duplicates Z: 14 44.557 2.198 1.313 0.904 1.000 0.692 CB 1.732 14 residues pruned to eliminate duplicates Z: 19 19.127 2.228 1.204 0.327 0.889 0.556 CB 1.249 19 residues pruned to eliminate duplicates Z: 32 34.155 2.217 0.767 0.603 0.903 0.613 CB 1.572 32 residues pruned to eliminate duplicates Z: 14 35.513 2.144 1.000 0.869 1.000 0.769 CA 1.678 14 residues pruned to eliminate duplicates Z: 31 25.569 2.288 0.933 0.400 0.733 0.433 CB 1.599 31 residues pruned to eliminate duplicates Z: 11 13.794 1.921 0.473 0.764 0.900 0.700 CB 1.355 11 residues pruned to eliminate duplicates Z: 10 18.081 2.010 0.678 0.870 0.889 0.889 CA 1.467 10 residues pruned to eliminate duplicates Z: 6 16.028 1.990 1.514 0.688 0.800 0.800 C 1.507 6 residues pruned to eliminate duplicates Z: 10 19.117 2.020 0.758 0.874 1.000 0.889 CA 1.305 10 residues pruned to eliminate duplicates Z: 32 27.029 2.217 0.955 0.364 0.903 0.484 CB 1.435 32 residues pruned to eliminate duplicates Z: 11 7.485 1.778 0.619 0.428 0.900 0.600 CB 0.985 11 residues pruned to eliminate duplicates Z: 16 34.248 2.023 1.228 0.920 0.867 0.667 CB 1.594 16 residues pruned to eliminate duplicates Z: 53 36.107 2.133 0.965 0.360 0.923 0.615 CB 1.505 53 residues pruned to eliminate duplicates Z: 67 52.476 2.320 0.996 0.418 0.939 0.606 CB 1.619 67 residues pruned to eliminate duplicates Z: 11 15.386 2.137 0.959 0.289 0.900 0.400 CB 1.637 11 residues pruned to eliminate duplicates Z: 8 10.247 1.939 0.200 0.833 0.857 0.857 CB 1.457 8 residues pruned to eliminate duplicates Z: 52 55.979 2.388 1.153 0.541 0.902 0.569 CB 1.624 52 residues pruned to eliminate duplicates Z: 16 21.349 2.297 1.050 0.325 0.867 0.667 CB 1.637 16 residues pruned to eliminate duplicates Z: 6 3.175 1.666 -0.028 0.414 1.000 1.000 CB 0.960 6 residues pruned to eliminate duplicates Z: 35 48.659 2.358 1.155 0.496 0.971 0.559 CB 1.698 35 residues pruned to eliminate duplicates Z: 17 24.304 2.228 0.787 0.462 0.938 0.750 CA 1.693 16 residues pruned to eliminate duplicates Z: 11 9.838 2.132 0.309 0.457 0.900 0.500 CB 1.294 11 residues pruned to eliminate duplicates Z: 61 50.762 2.227 1.062 0.441 0.950 0.683 CB 1.597 61 residues pruned to eliminate duplicates Z: 37 41.746 2.235 0.862 0.533 0.944 0.667 CB 1.714 37 residues pruned to eliminate duplicates Z: 11 14.856 2.021 0.696 0.603 0.900 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 17 18.535 2.262 1.045 0.415 0.750 0.625 CB 1.459 17 residues pruned to eliminate duplicates Z: 32 32.760 2.134 1.080 0.588 0.935 0.419 CB 1.303 32 residues pruned to eliminate duplicates Z: 78 56.299 2.353 0.920 0.474 0.883 0.662 CB 1.651 78 residues pruned to eliminate duplicates Z: 22 17.948 2.100 0.848 0.327 0.762 0.381 CB 1.601 22 residues pruned to eliminate duplicates Z: 8 4.912 1.771 0.493 0.441 0.857 0.714 CB 0.871 8 residues pruned to eliminate duplicates Z: 87 58.665 2.322 0.967 0.451 0.907 0.628 CB 1.606 87 residues pruned to eliminate duplicates Z: 86 41.623 2.173 0.922 0.376 0.835 0.565 CB 1.478 86 residues pruned to eliminate duplicates Z: 21 40.619 2.323 0.947 0.670 0.950 0.750 CB 1.807 21 residues pruned to eliminate duplicates Z: 11 20.704 1.884 1.019 0.874 1.000 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 11 25.993 1.985 1.009 0.934 1.000 0.500 CB 1.437 11 residues pruned to eliminate duplicates Z: 11 8.808 1.628 0.963 0.573 0.700 0.600 CA 1.160 11 residues pruned to eliminate duplicates Z: 16 35.981 2.261 0.814 0.896 0.933 0.867 CB 1.739 16 residues pruned to eliminate duplicates Z: 40 30.280 2.249 1.060 0.387 0.795 0.538 CB 1.485 40 residues pruned to eliminate duplicates Z: 15 37.121 2.099 1.069 0.931 1.000 0.714 CB 1.597 15 residues pruned to eliminate duplicates Z: 16 21.451 1.854 0.814 0.709 0.933 0.533 CB 1.460 16 residues pruned to eliminate duplicates Z: 6 4.118 1.468 0.370 0.421 0.800 0.400 N 1.243 Z: 33 27.287 2.098 0.927 0.508 0.844 0.688 CB 1.404 33 residues pruned to eliminate duplicates Z: 15 8.656 1.943 0.972 0.317 0.571 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 8 7.993 1.628 0.469 0.548 0.857 0.571 C 1.407 8 residues pruned to eliminate duplicates Z: 14 14.756 2.027 0.917 0.407 0.846 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 13 5.650 1.902 0.421 0.325 0.583 0.417 CB 1.254 13 residues pruned to eliminate duplicates Z: 69 47.127 2.303 0.965 0.402 0.897 0.632 CB 1.560 69 residues pruned to eliminate duplicates Z: 15 31.134 2.234 0.682 0.900 1.000 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 28 26.458 2.076 0.969 0.433 0.926 0.741 CB 1.443 28 residues pruned to eliminate duplicates Z: 6 4.995 1.698 1.159 0.487 0.800 0.800 CA 0.772 Z: 7 13.265 2.267 1.074 0.384 0.833 0.500 CA 1.563 7 residues pruned to eliminate duplicates Z: 14 29.718 2.176 0.668 0.892 1.000 0.923 CB 1.631 15 residues pruned to eliminate duplicates Z: 73 49.868 2.275 1.038 0.391 0.889 0.569 CB 1.601 73 residues pruned to eliminate duplicates Z: 9 7.333 2.191 0.693 0.285 0.750 0.625 CB 1.187 15 residues pruned to eliminate duplicates Z: 22 41.780 2.340 1.174 0.593 0.905 0.714 CA 1.812 22 residues pruned to eliminate duplicates Z: 16 34.923 2.262 0.809 0.797 1.000 0.800 CB 1.699 16 residues pruned to eliminate duplicates Z: 20 39.181 2.391 1.352 0.506 0.947 0.684 CB 1.677 20 residues pruned to eliminate duplicates Z: 8 13.021 2.199 1.272 0.423 0.857 0.571 CB 1.245 8 residues pruned to eliminate duplicates Z: 12 36.573 2.326 1.101 0.946 1.000 0.727 CB 1.561 13 residues pruned to eliminate duplicates Z: 14 29.297 2.304 1.025 0.472 1.000 0.615 CB 1.792 14 residues pruned to eliminate duplicates Z: 49 39.668 2.156 0.978 0.413 0.938 0.625 CB 1.569 49 residues pruned to eliminate duplicates Z: 15 49.275 2.362 1.165 0.939 1.000 0.714 CB 1.789 15 residues pruned to eliminate duplicates Z: 64 44.210 2.226 0.979 0.422 0.905 0.635 CB 1.515 64 residues pruned to eliminate duplicates Z: 15 27.984 2.056 0.772 0.885 1.000 0.929 CB 1.483 15 residues pruned to eliminate duplicates Z: 15 23.543 2.073 0.525 0.801 0.929 0.786 CB 1.647 15 residues pruned to eliminate duplicates Z: 7 21.507 2.230 0.983 0.705 1.000 0.667 CB 1.647 7 residues pruned to eliminate duplicates Z: 16 24.142 2.187 0.991 0.470 0.933 0.600 CB 1.581 16 residues pruned to eliminate duplicates Z: 45 43.988 2.226 0.996 0.481 0.955 0.705 CB 1.594 45 residues pruned to eliminate duplicates Z: 11 13.991 2.098 0.845 0.324 0.900 0.500 CB 1.542 11 residues pruned to eliminate duplicates Z: 11 19.535 2.121 0.701 0.737 0.900 0.800 CB 1.539 11 residues pruned to eliminate duplicates Z: 11 17.425 1.882 0.538 0.908 1.000 1.000 CB 1.352 11 residues pruned to eliminate duplicates Z: 7 9.090 1.913 0.755 0.820 0.667 0.167 CA 1.257 7 residues pruned to eliminate duplicates Z: 58 47.424 2.209 1.000 0.511 0.912 0.596 CB 1.541 58 residues pruned to eliminate duplicates Z: 26 13.892 1.919 0.418 0.344 0.880 0.640 CB 1.375 30 residues pruned to eliminate duplicates Z: 6 2.127 1.351 0.187 0.437 0.800 0.600 CB 0.792 6 residues pruned to eliminate duplicates Z: 10 18.911 2.109 0.861 0.610 1.000 0.889 CB 1.447 10 residues pruned to eliminate duplicates Z: 37 50.047 2.312 1.158 0.591 0.917 0.667 CB 1.672 37 residues pruned to eliminate duplicates Z: 7 10.894 2.015 0.463 0.581 1.000 0.167 CB 1.396 7 residues pruned to eliminate duplicates Z: 17 25.558 2.289 0.733 0.490 1.000 0.562 CB 1.628 17 residues pruned to eliminate duplicates Z: 108 67.854 2.348 1.091 0.430 0.888 0.617 CB 1.619 108 residues pruned to eliminate duplicates Z: 72 49.509 2.199 1.028 0.437 0.915 0.676 CB 1.536 72 residues pruned to eliminate duplicates Z: 39 34.351 2.220 0.931 0.421 0.921 0.579 CB 1.533 39 residues pruned to eliminate duplicates Z: 21 31.992 2.263 1.231 0.429 0.850 0.500 CB 1.794 21 residues pruned to eliminate duplicates Z: 17 25.839 2.205 1.139 0.582 0.812 0.688 CB 1.557 17 residues pruned to eliminate duplicates Z: 38 38.767 2.254 0.936 0.539 0.892 0.703 CB 1.575 38 residues pruned to eliminate duplicates Z: 18 18.670 1.891 0.645 0.530 0.941 0.529 CB 1.501 15 residues pruned to eliminate duplicates Z: 27 30.475 2.107 1.034 0.511 0.885 0.731 CB 1.559 27 residues pruned to eliminate duplicates Z: 8 10.267 2.192 0.724 0.338 0.857 0.714 CA 1.430 8 residues pruned to eliminate duplicates Z: 29 20.199 2.212 0.780 0.342 0.750 0.464 CB 1.536 29 residues pruned to eliminate duplicates Z: 10 24.329 2.046 0.830 0.935 1.000 1.000 CB 1.509 10 residues pruned to eliminate duplicates Z: 7 6.641 1.562 0.987 0.607 0.833 0.667 CB 0.947 7 residues pruned to eliminate duplicates Z: 15 24.776 2.404 0.700 0.500 0.857 0.571 CA 1.889 15 residues pruned to eliminate duplicates Z: 32 44.435 2.341 1.326 0.493 0.903 0.548 CB 1.635 32 residues pruned to eliminate duplicates Z: 32 34.365 2.216 0.972 0.512 0.903 0.774 CB 1.546 32 residues pruned to eliminate duplicates Z: 51 46.849 2.276 1.156 0.437 0.920 0.660 CB 1.567 51 residues pruned to eliminate duplicates Z: 73 45.888 2.193 0.921 0.410 0.889 0.653 CB 1.586 73 residues pruned to eliminate duplicates Z: 12 10.166 1.882 1.079 0.488 0.818 0.455 CB 0.969 12 residues pruned to eliminate duplicates Z: 49 36.821 2.293 0.834 0.444 0.917 0.625 CB 1.460 49 residues pruned to eliminate duplicates Z: 12 45.298 2.336 1.367 0.830 1.000 0.909 CA 1.858 12 residues pruned to eliminate duplicates Z: 6 2.993 1.306 0.236 0.323 1.000 0.400 CB 1.008 Z: 15 22.350 2.195 1.065 0.372 0.929 0.786 CB 1.627 15 residues pruned to eliminate duplicates Z: 16 26.418 2.096 1.375 0.460 0.933 0.733 CB 1.529 16 residues pruned to eliminate duplicates Z: 14 18.865 2.023 0.898 0.535 0.846 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 8 4.568 1.867 1.086 0.584 0.714 0.714 CB 0.572 Z: 11 16.340 1.951 0.481 0.815 0.900 0.500 CB 1.511 11 residues pruned to eliminate duplicates Z: 21 35.664 2.232 0.873 0.655 1.000 0.800 CB 1.651 21 residues pruned to eliminate duplicates Z: 51 42.135 2.263 1.035 0.429 0.900 0.680 CB 1.548 51 residues pruned to eliminate duplicates Z: 17 15.028 2.155 1.022 0.310 0.812 0.562 CB 1.309 17 residues pruned to eliminate duplicates Z: 50 56.691 2.389 1.048 0.545 0.980 0.633 CB 1.616 50 residues pruned to eliminate duplicates Z: 58 43.362 2.262 0.970 0.409 0.895 0.649 CB 1.585 58 residues pruned to eliminate duplicates Z: 67 43.310 2.276 0.871 0.394 0.864 0.606 CB 1.621 67 residues pruned to eliminate duplicates Z: 17 20.102 2.138 1.094 0.401 0.812 0.750 CB 1.534 17 residues pruned to eliminate duplicates Z: 56 39.769 2.190 0.994 0.369 0.909 0.618 CB 1.554 56 residues pruned to eliminate duplicates Z: 41 41.740 2.198 0.970 0.493 0.925 0.650 CB 1.658 41 residues pruned to eliminate duplicates Z: 32 25.569 2.324 0.740 0.365 0.806 0.516 CB 1.629 32 residues pruned to eliminate duplicates Z: 11 19.262 1.907 0.849 0.774 1.000 0.700 CB 1.355 11 residues pruned to eliminate duplicates Z: 7 9.287 1.651 0.992 0.553 1.000 0.833 CB 1.095 7 residues pruned to eliminate duplicates Z: 10 8.422 2.271 0.583 0.194 0.667 0.444 CA 1.687 10 residues pruned to eliminate duplicates Z: 7 9.515 1.900 0.693 0.389 0.833 0.500 CA 1.629 7 residues pruned to eliminate duplicates Z: 44 26.490 1.926 0.792 0.480 0.907 0.628 CB 1.317 44 residues pruned to eliminate duplicates Z: 36 26.664 2.141 0.953 0.328 0.829 0.657 CB 1.570 36 residues pruned to eliminate duplicates Z: 39 44.725 2.252 1.181 0.505 0.868 0.684 CB 1.693 45 residues pruned to eliminate duplicates Z: 65 39.557 2.195 0.853 0.375 0.891 0.672 CB 1.560 65 residues pruned to eliminate duplicates Z: 12 21.979 2.335 0.796 0.630 0.909 0.545 CB 1.539 12 residues pruned to eliminate duplicates Z: 70 49.877 2.211 1.080 0.455 0.899 0.638 CB 1.522 70 residues pruned to eliminate duplicates Z: 7 4.839 1.263 0.418 0.784 1.000 0.500 N 0.859 7 residues pruned to eliminate duplicates Z: 9 13.941 2.168 0.595 0.375 1.000 0.500 CB 1.628 Z: 41 33.995 2.201 0.914 0.483 0.800 0.600 CB 1.622 41 residues pruned to eliminate duplicates Z: 15 27.991 2.068 0.599 0.908 1.000 0.929 CB 1.607 15 residues pruned to eliminate duplicates Z: 7 3.317 1.545 0.447 0.489 0.833 0.500 CB 0.735 Z: 22 25.862 2.272 1.050 0.401 0.810 0.667 CB 1.661 22 residues pruned to eliminate duplicates Z: 6 8.852 1.771 1.134 0.473 0.800 0.600 N 1.345 6 residues pruned to eliminate duplicates Z: 41 35.187 2.181 0.945 0.403 0.925 0.675 CB 1.570 41 residues pruned to eliminate duplicates Z: 12 21.159 2.332 0.997 0.411 0.909 0.636 CB 1.655 12 residues pruned to eliminate duplicates Z: 55 52.646 2.315 0.959 0.546 0.926 0.593 CB 1.632 55 residues pruned to eliminate duplicates Z: 6 5.463 1.572 0.009 0.830 1.000 0.800 CA 1.158 6 residues pruned to eliminate duplicates Z: 41 42.246 2.401 1.062 0.415 0.875 0.550 CB 1.685 41 residues pruned to eliminate duplicates Z: 16 17.054 2.201 0.523 0.496 0.867 0.667 CB 1.522 16 residues pruned to eliminate duplicates Z: 6 8.970 1.924 0.615 0.608 1.000 0.800 CB 1.165 6 residues pruned to eliminate duplicates Z: 17 30.362 2.518 1.352 0.328 0.938 0.625 CB 1.651 17 residues pruned to eliminate duplicates Z: 41 55.509 2.435 1.170 0.523 0.950 0.425 CB 1.709 41 residues pruned to eliminate duplicates Z: 6 6.217 1.862 0.906 0.596 1.000 1.000 CB 0.714 Z: 38 33.734 2.187 0.984 0.476 0.892 0.541 CB 1.469 38 residues pruned to eliminate duplicates Z: 6 9.860 1.921 0.489 0.708 1.000 0.800 CB 1.276 6 residues pruned to eliminate duplicates Z: 16 26.133 2.106 1.149 0.502 1.000 0.667 CB 1.488 16 residues pruned to eliminate duplicates Z: 12 16.225 2.313 0.827 0.494 0.727 0.636 CB 1.601 12 residues pruned to eliminate duplicates Z: 9 6.415 1.984 0.818 0.375 0.500 0.500 CB 1.437 9 residues pruned to eliminate duplicates Z: 79 60.205 2.329 1.066 0.451 0.897 0.667 CB 1.659 79 residues pruned to eliminate duplicates Z: 33 32.060 2.143 0.933 0.413 0.875 0.719 CB 1.713 33 residues pruned to eliminate duplicates Z: 10 3.092 1.434 -0.027 0.261 0.889 0.556 CB 1.092 Z: 20 20.358 2.202 0.869 0.372 0.842 0.526 CB 1.546 20 residues pruned to eliminate duplicates Z: 15 43.461 2.391 1.070 0.941 0.929 0.786 CB 1.755 15 residues pruned to eliminate duplicates Z: 17 17.583 1.974 0.817 0.440 1.000 0.438 CB 1.304 17 residues pruned to eliminate duplicates Z: 12 21.326 1.863 0.687 0.901 1.000 0.818 CB 1.461 12 residues pruned to eliminate duplicates Z: 19 24.006 2.388 1.245 0.306 0.889 0.611 CB 1.474 19 residues pruned to eliminate duplicates Z: 13 25.955 2.223 0.978 0.583 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 15 18.621 2.061 1.093 0.398 0.929 0.643 CB 1.384 15 residues pruned to eliminate duplicates Z: 31 33.389 2.234 0.721 0.555 0.933 0.700 CB 1.611 31 residues pruned to eliminate duplicates Z: 64 63.878 2.352 1.221 0.508 0.921 0.698 CB 1.661 64 residues pruned to eliminate duplicates Z: 170 87.426 2.370 1.046 0.445 0.893 0.639 CB 1.643 178 residues pruned to eliminate duplicates Z: 30 44.924 2.328 1.239 0.584 0.897 0.690 CB 1.647 30 residues pruned to eliminate duplicates Z: 35 27.276 2.301 1.051 0.270 0.824 0.382 CB 1.563 35 residues pruned to eliminate duplicates Z: 6 13.363 1.982 0.662 0.792 1.000 0.800 CB 1.403 6 residues pruned to eliminate duplicates Z: 13 21.580 2.015 0.731 0.678 1.000 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 7 3.160 1.223 0.316 0.555 1.000 0.833 CB 0.760 Z: 35 36.412 2.236 0.817 0.607 0.912 0.618 CB 1.523 35 residues pruned to eliminate duplicates Z: 15 37.769 2.066 1.209 0.917 1.000 0.357 CB 1.561 15 residues pruned to eliminate duplicates Z: 22 45.038 2.394 1.129 0.615 1.000 0.667 CB 1.730 22 residues pruned to eliminate duplicates Z: 27 17.230 2.154 0.645 0.355 0.808 0.462 CB 1.381 27 residues pruned to eliminate duplicates Z: 18 22.282 2.409 0.913 0.358 0.882 0.529 CB 1.548 27 residues pruned to eliminate duplicates Z: 65 52.154 2.201 1.113 0.502 0.906 0.656 CB 1.544 65 residues pruned to eliminate duplicates Z: 40 23.941 2.212 0.710 0.333 0.821 0.564 CB 1.482 40 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 188 B: 180 CC for partial structure against native data = 41.17 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.615, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 0.733, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.748, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 0.762, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.768, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.776, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.778, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.778, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2595 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 603 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 39 48.572 2.361 0.968 0.545 0.947 0.579 CB 1.714 B: 33 26.259 2.367 0.831 0.304 0.844 0.469 CB 1.579 33 residues pruned to eliminate duplicates C: 52 48.510 2.374 0.849 0.488 0.922 0.627 CB 1.699 39 residues pruned to eliminate duplicates D: 13 39.565 2.318 0.924 0.918 1.000 0.667 CA 1.805 E: 16 42.967 2.332 0.942 0.930 0.933 0.733 CB 1.836 19 residues pruned to eliminate duplicates F: 15 26.415 2.126 0.472 0.881 1.000 0.857 CB 1.633 G: 98 66.604 2.342 0.866 0.468 0.938 0.691 CB 1.705 13 residues pruned to eliminate duplicates H: 16 23.322 2.049 0.341 0.909 1.000 0.933 CB 1.555 16 residues pruned to eliminate duplicates I: 64 45.279 2.337 0.885 0.398 0.905 0.524 CB 1.593 45 residues pruned to eliminate duplicates J: 13 34.300 2.236 0.803 0.879 1.000 0.750 CA 1.781 13 residues pruned to eliminate duplicates K: 12 49.398 2.471 1.128 0.897 1.000 0.909 CA 2.028 12 residues pruned to eliminate duplicates L: 16 48.906 2.412 1.140 0.912 0.933 0.533 CB 1.857 16 residues pruned to eliminate duplicates M: 16 41.834 2.350 0.874 0.925 0.933 0.733 CA 1.844 16 residues pruned to eliminate duplicates N: 37 53.236 2.546 1.235 0.533 0.861 0.694 CB 1.753 40 residues pruned to eliminate duplicates O: 15 44.049 2.430 1.040 0.931 0.929 0.786 CB 1.787 15 residues pruned to eliminate duplicates P: 14 43.052 2.242 1.073 0.907 1.000 0.923 CA 1.826 14 residues pruned to eliminate duplicates Q: 15 26.357 2.120 0.606 0.892 0.929 0.857 CB 1.601 15 residues pruned to eliminate duplicates R: 23 30.241 2.412 0.886 0.347 0.864 0.500 CA 1.938 23 residues pruned to eliminate duplicates S: 18 41.787 2.500 1.429 0.536 0.882 0.765 CB 1.825 17 residues pruned to eliminate duplicates T: 37 43.316 2.396 0.916 0.535 0.889 0.667 CB 1.710 37 residues pruned to eliminate duplicates U: 8 17.882 2.205 1.308 0.574 0.857 0.571 CA 1.443 7 residues pruned to eliminate duplicates V: 12 47.477 2.515 1.005 0.884 1.000 0.909 CA 2.052 12 residues pruned to eliminate duplicates W: 83 62.937 2.406 1.030 0.444 0.878 0.634 CB 1.716 83 residues pruned to eliminate duplicates X: 11 65.078 2.676 1.448 0.920 1.000 0.800 CA 2.213 11 residues pruned to eliminate duplicates Y: 72 44.837 2.278 0.842 0.388 0.887 0.563 CB 1.608 65 residues pruned to eliminate duplicates Z: 80 65.259 2.441 0.912 0.511 0.911 0.582 CB 1.708 89 residues pruned to eliminate duplicates Z: 19 24.184 2.418 0.919 0.320 0.833 0.333 CA 1.797 Z: 12 12.691 1.855 1.103 0.563 0.818 0.545 CA 1.128 9 residues pruned to eliminate duplicates Z: 28 20.549 2.301 0.690 0.379 0.778 0.519 CB 1.487 12 residues pruned to eliminate duplicates Z: 15 27.797 2.134 0.475 0.927 1.000 0.857 CB 1.654 Z: 14 8.812 1.913 0.485 0.342 0.692 0.538 N 1.476 14 residues pruned to eliminate duplicates Z: 14 21.581 2.242 0.194 0.917 1.000 0.923 CB 1.578 14 residues pruned to eliminate duplicates Z: 65 68.615 2.418 1.141 0.555 0.891 0.594 CB 1.763 48 residues pruned to eliminate duplicates Z: 19 21.716 2.510 0.851 0.320 0.833 0.611 CB 1.613 19 residues pruned to eliminate duplicates Z: 58 63.380 2.448 0.956 0.605 0.965 0.614 CB 1.643 15 residues pruned to eliminate duplicates Z: 16 22.400 2.380 0.700 0.518 0.800 0.667 CA 1.755 Z: 50 48.012 2.394 0.872 0.464 0.898 0.531 CB 1.767 50 residues pruned to eliminate duplicates Z: 22 34.625 2.133 0.978 0.626 0.952 0.714 CB 1.671 Z: 17 35.101 2.307 0.755 0.877 0.938 0.812 CB 1.680 17 residues pruned to eliminate duplicates Z: 13 31.917 2.370 0.616 0.934 1.000 0.917 CB 1.678 13 residues pruned to eliminate duplicates Z: 8 14.428 1.855 0.806 0.720 1.000 0.714 CB 1.334 8 residues pruned to eliminate duplicates Z: 31 37.712 2.426 0.816 0.543 0.933 0.633 CB 1.606 31 residues pruned to eliminate duplicates Z: 17 41.288 2.320 0.954 0.868 0.938 0.750 CB 1.775 17 residues pruned to eliminate duplicates Z: 12 42.018 2.551 0.742 0.904 1.000 0.909 CA 2.031 12 residues pruned to eliminate duplicates Z: 17 38.086 2.352 0.920 0.903 0.875 0.750 CB 1.718 17 residues pruned to eliminate duplicates Z: 17 41.401 2.182 1.000 0.880 1.000 0.750 CB 1.718 17 residues pruned to eliminate duplicates Z: 17 35.434 2.397 0.760 0.870 0.875 0.750 CB 1.752 17 residues pruned to eliminate duplicates Z: 17 37.858 2.366 0.983 0.868 0.875 0.438 CB 1.685 17 residues pruned to eliminate duplicates Z: 49 49.625 2.366 0.926 0.496 0.917 0.625 CB 1.722 49 residues pruned to eliminate duplicates Z: 16 41.908 2.335 0.777 0.871 1.000 0.667 CB 1.902 16 residues pruned to eliminate duplicates Z: 14 27.880 2.228 0.398 0.935 1.000 1.000 CB 1.730 14 residues pruned to eliminate duplicates Z: 17 40.692 2.309 0.958 0.883 0.938 0.875 CB 1.737 17 residues pruned to eliminate duplicates Z: 12 22.239 2.486 1.096 0.359 1.000 0.545 CB 1.497 12 residues pruned to eliminate duplicates Z: 16 39.254 2.256 0.795 0.877 0.933 0.733 CA 1.947 16 residues pruned to eliminate duplicates Z: 31 38.433 2.402 0.766 0.550 0.967 0.800 CB 1.630 31 residues pruned to eliminate duplicates Z: 53 36.851 2.277 0.859 0.401 0.846 0.615 CB 1.584 Z: 29 32.619 2.305 1.169 0.361 0.857 0.536 CB 1.671 27 residues pruned to eliminate duplicates Z: 16 43.566 2.313 1.065 0.911 1.000 0.400 CB 1.669 16 residues pruned to eliminate duplicates Z: 12 17.765 2.103 0.538 0.765 0.909 0.727 CA 1.440 12 residues pruned to eliminate duplicates Z: 30 25.634 2.229 0.908 0.326 0.828 0.448 CB 1.637 18 residues pruned to eliminate duplicates Z: 17 36.751 2.269 0.718 0.892 1.000 0.938 CB 1.693 17 residues pruned to eliminate duplicates Z: 10 18.987 2.006 0.570 0.852 1.000 0.778 CA 1.486 10 residues pruned to eliminate duplicates Z: 20 35.680 2.368 0.638 0.707 1.000 0.842 CB 1.748 20 residues pruned to eliminate duplicates Z: 9 14.057 2.136 0.195 0.833 0.875 0.750 CA 1.669 9 residues pruned to eliminate duplicates Z: 17 24.197 2.384 0.731 0.451 0.812 0.562 CA 1.896 16 residues pruned to eliminate duplicates Z: 10 15.131 1.952 0.362 0.863 0.889 0.889 CA 1.566 10 residues pruned to eliminate duplicates Z: 62 57.775 2.443 0.786 0.552 0.951 0.623 CB 1.695 62 residues pruned to eliminate duplicates Z: 10 20.252 2.048 0.587 0.862 1.000 0.889 CA 1.525 10 residues pruned to eliminate duplicates Z: 18 26.974 2.324 1.189 0.454 0.824 0.765 CB 1.637 18 residues pruned to eliminate duplicates Z: 17 43.412 2.387 0.947 0.928 0.875 0.688 CB 1.868 17 residues pruned to eliminate duplicates Z: 33 35.625 2.365 0.845 0.505 0.906 0.688 CB 1.584 33 residues pruned to eliminate duplicates Z: 27 28.260 2.350 0.797 0.386 0.846 0.577 CB 1.751 44 residues pruned to eliminate duplicates Z: 65 45.349 2.288 0.914 0.407 0.859 0.625 CB 1.661 65 residues pruned to eliminate duplicates Z: 67 61.490 2.452 0.891 0.523 0.939 0.576 CB 1.699 56 residues pruned to eliminate duplicates Z: 37 45.640 2.334 0.945 0.583 0.889 0.556 CB 1.741 37 residues pruned to eliminate duplicates Z: 55 55.635 2.442 0.917 0.549 0.926 0.593 CB 1.666 55 residues pruned to eliminate duplicates Z: 12 52.142 2.391 1.397 0.898 1.000 0.727 C 1.962 12 residues pruned to eliminate duplicates Z: 7 7.366 1.843 0.464 0.632 0.833 0.833 CA 1.182 7 residues pruned to eliminate duplicates Z: 67 47.003 2.307 0.981 0.385 0.894 0.606 CB 1.600 76 residues pruned to eliminate duplicates Z: 11 10.012 1.808 0.798 0.471 0.900 0.800 CB 1.114 Z: 15 33.291 2.123 0.796 0.907 1.000 0.929 CB 1.658 15 residues pruned to eliminate duplicates Z: 20 19.151 2.254 0.761 0.364 0.842 0.579 CB 1.522 20 residues pruned to eliminate duplicates Z: 7 14.093 1.900 0.774 0.575 1.000 0.667 CA 1.587 7 residues pruned to eliminate duplicates Z: 63 49.367 2.319 1.011 0.418 0.903 0.581 CB 1.622 63 residues pruned to eliminate duplicates Z: 16 40.131 2.415 0.905 0.888 0.867 0.667 CB 1.873 16 residues pruned to eliminate duplicates Z: 17 24.845 2.291 0.925 0.457 0.875 0.688 CA 1.682 Z: 10 15.016 1.922 0.646 0.818 0.778 0.778 CA 1.543 10 residues pruned to eliminate duplicates Z: 15 32.486 2.178 0.755 0.867 1.000 0.786 CB 1.662 15 residues pruned to eliminate duplicates Z: 9 10.344 1.917 0.545 0.439 1.000 0.625 CB 1.316 10 residues pruned to eliminate duplicates Z: 32 38.217 2.202 0.917 0.579 0.968 0.806 CB 1.558 27 residues pruned to eliminate duplicates Z: 22 34.949 2.157 0.918 0.711 0.905 0.810 CB 1.682 21 residues pruned to eliminate duplicates Z: 13 30.125 2.308 0.714 0.836 0.917 0.917 CB 1.794 13 residues pruned to eliminate duplicates Z: 15 30.402 2.167 0.677 0.917 1.000 0.857 CB 1.578 15 residues pruned to eliminate duplicates Z: 79 65.065 2.394 1.062 0.473 0.897 0.628 CB 1.710 79 residues pruned to eliminate duplicates Z: 17 37.027 2.292 0.804 0.902 0.938 0.812 CB 1.703 17 residues pruned to eliminate duplicates Z: 17 37.132 2.299 0.713 0.897 0.938 0.875 CB 1.801 17 residues pruned to eliminate duplicates Z: 59 46.208 2.322 0.939 0.434 0.879 0.655 CB 1.642 59 residues pruned to eliminate duplicates Z: 16 22.428 2.429 0.754 0.439 0.733 0.733 CA 1.974 16 residues pruned to eliminate duplicates Z: 116 62.526 2.303 0.820 0.466 0.904 0.643 CB 1.593 119 residues pruned to eliminate duplicates Z: 66 48.774 2.350 0.963 0.398 0.892 0.692 CB 1.638 66 residues pruned to eliminate duplicates Z: 57 61.076 2.420 0.928 0.579 0.946 0.696 CB 1.713 57 residues pruned to eliminate duplicates Z: 17 37.711 2.208 0.774 0.871 1.000 0.875 CA 1.756 17 residues pruned to eliminate duplicates Z: 102 74.971 2.418 1.075 0.457 0.891 0.653 CB 1.743 102 residues pruned to eliminate duplicates Z: 16 36.996 2.359 0.792 0.883 0.933 0.800 CB 1.750 16 residues pruned to eliminate duplicates Z: 17 33.863 2.226 0.541 0.897 1.000 0.938 CB 1.766 17 residues pruned to eliminate duplicates Z: 13 35.187 2.273 0.807 0.901 1.000 1.000 CA 1.766 13 residues pruned to eliminate duplicates Z: 14 34.137 2.235 0.727 0.910 1.000 0.846 CB 1.740 15 residues pruned to eliminate duplicates Z: 16 32.490 2.327 0.617 0.867 0.933 0.800 CB 1.747 16 residues pruned to eliminate duplicates Z: 81 60.680 2.349 0.996 0.476 0.887 0.625 CB 1.671 81 residues pruned to eliminate duplicates Z: 81 55.220 2.267 0.908 0.495 0.887 0.575 CB 1.616 81 residues pruned to eliminate duplicates Z: 68 47.728 2.313 0.941 0.379 0.896 0.612 CB 1.650 68 residues pruned to eliminate duplicates Z: 8 12.312 2.165 0.509 0.441 0.857 0.714 CA 1.767 8 residues pruned to eliminate duplicates Z: 138 80.493 2.413 0.932 0.460 0.912 0.613 CB 1.683 138 residues pruned to eliminate duplicates Z: 15 29.539 2.094 0.796 0.889 1.000 0.929 CB 1.511 14 residues pruned to eliminate duplicates Z: 72 46.177 2.313 0.969 0.381 0.859 0.662 CB 1.590 72 residues pruned to eliminate duplicates Z: 56 39.307 2.267 0.738 0.390 0.909 0.600 CB 1.662 56 residues pruned to eliminate duplicates Z: 65 45.095 2.295 0.909 0.423 0.844 0.578 CB 1.652 65 residues pruned to eliminate duplicates Z: 14 35.897 2.285 0.861 0.876 1.000 0.846 CB 1.701 15 residues pruned to eliminate duplicates Z: 79 60.550 2.412 0.827 0.496 0.885 0.590 CB 1.766 79 residues pruned to eliminate duplicates Z: 24 14.403 2.168 0.636 0.232 0.783 0.435 CB 1.477 24 residues pruned to eliminate duplicates Z: 68 50.816 2.342 0.932 0.401 0.910 0.627 CB 1.673 68 residues pruned to eliminate duplicates Z: 13 23.606 2.351 0.167 0.936 1.000 0.917 CB 1.729 13 residues pruned to eliminate duplicates Z: 12 17.986 1.825 0.467 0.895 1.000 0.818 CB 1.453 12 residues pruned to eliminate duplicates Z: 14 31.617 2.244 0.840 0.901 0.923 0.692 CB 1.642 14 residues pruned to eliminate duplicates Z: 14 32.650 2.285 0.692 0.942 1.000 1.000 CB 1.624 13 residues pruned to eliminate duplicates Z: 9 16.071 2.188 0.688 0.486 0.875 0.625 CB 1.783 Z: 53 58.211 2.446 0.987 0.549 0.904 0.673 CB 1.751 53 residues pruned to eliminate duplicates Z: 15 34.766 2.411 0.729 0.889 0.929 0.786 CB 1.728 15 residues pruned to eliminate duplicates Z: 21 27.710 2.188 0.463 0.731 1.000 0.850 CB 1.572 21 residues pruned to eliminate duplicates Z: 17 38.144 2.537 1.117 0.580 0.938 0.875 CB 1.753 17 residues pruned to eliminate duplicates Z: 13 44.359 2.323 1.304 0.948 1.000 0.750 CB 1.652 13 residues pruned to eliminate duplicates Z: 17 22.461 2.395 0.673 0.460 0.812 0.688 CA 1.797 17 residues pruned to eliminate duplicates Z: 12 16.640 1.827 0.384 0.906 1.000 0.909 CB 1.411 12 residues pruned to eliminate duplicates Z: 20 19.187 2.137 0.999 0.427 0.789 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 15 28.559 2.147 0.508 0.932 1.000 0.786 CB 1.647 15 residues pruned to eliminate duplicates Z: 6 5.838 1.759 0.168 0.503 1.000 0.200 CA 1.266 6 residues pruned to eliminate duplicates Z: 18 17.890 2.089 0.688 0.436 0.882 0.706 CA 1.490 9 residues pruned to eliminate duplicates Z: 11 12.321 2.340 0.868 0.250 0.800 0.600 CB 1.486 11 residues pruned to eliminate duplicates Z: 9 24.046 2.333 0.949 0.673 1.000 0.875 CB 1.594 9 residues pruned to eliminate duplicates Z: 41 35.785 2.224 1.051 0.401 0.900 0.600 CB 1.530 41 residues pruned to eliminate duplicates Z: 92 60.534 2.354 1.026 0.454 0.824 0.593 CB 1.692 92 residues pruned to eliminate duplicates Z: 72 43.526 2.293 0.909 0.381 0.873 0.634 CB 1.533 72 residues pruned to eliminate duplicates Z: 16 31.896 2.230 0.744 0.848 0.933 0.600 CB 1.683 16 residues pruned to eliminate duplicates Z: 40 31.206 2.184 0.811 0.414 0.897 0.590 CB 1.540 40 residues pruned to eliminate duplicates Z: 32 47.658 2.428 0.953 0.598 0.935 0.613 CB 1.758 32 residues pruned to eliminate duplicates Z: 17 17.775 2.082 0.617 0.433 0.938 0.562 CA 1.509 17 residues pruned to eliminate duplicates Z: 81 59.304 2.383 0.934 0.451 0.875 0.600 CB 1.729 81 residues pruned to eliminate duplicates Z: 50 46.209 2.347 1.001 0.403 0.898 0.673 CB 1.733 50 residues pruned to eliminate duplicates Z: 10 13.309 2.329 0.921 0.428 0.778 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 17 27.794 2.270 0.707 0.696 0.875 0.625 CA 1.714 17 residues pruned to eliminate duplicates Z: 8 6.505 1.757 1.284 0.442 0.714 0.429 CB 0.911 8 residues pruned to eliminate duplicates Z: 49 31.271 2.204 0.853 0.331 0.854 0.604 CB 1.556 49 residues pruned to eliminate duplicates Z: 6 9.215 2.125 -0.005 0.709 1.000 0.600 CB 1.612 6 residues pruned to eliminate duplicates Z: 10 10.207 2.055 -0.038 0.825 0.889 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 11 16.246 1.819 0.692 0.864 1.000 0.700 CB 1.224 11 residues pruned to eliminate duplicates Z: 26 17.842 2.161 0.698 0.277 0.800 0.480 CB 1.564 26 residues pruned to eliminate duplicates Z: 8 6.899 1.598 0.468 0.494 0.857 0.571 C 1.304 8 residues pruned to eliminate duplicates Z: 10 22.393 2.119 1.218 0.678 0.889 0.667 CB 1.516 10 residues pruned to eliminate duplicates Z: 43 37.923 2.330 0.627 0.463 0.905 0.524 CB 1.772 43 residues pruned to eliminate duplicates Z: 16 47.247 2.552 1.165 0.775 0.867 0.667 CB 1.998 16 residues pruned to eliminate duplicates Z: 68 44.247 2.303 0.836 0.382 0.881 0.537 CB 1.645 68 residues pruned to eliminate duplicates Z: 7 8.809 2.342 0.027 0.565 0.833 0.667 CA 1.684 7 residues pruned to eliminate duplicates Z: 11 15.916 1.963 0.275 0.912 1.000 1.000 CB 1.424 11 residues pruned to eliminate duplicates Z: 16 39.881 2.343 0.928 0.933 0.933 0.667 CB 1.705 16 residues pruned to eliminate duplicates Z: 22 19.104 2.362 0.970 0.331 0.762 0.476 CB 1.416 22 residues pruned to eliminate duplicates Z: 20 18.307 2.285 0.888 0.324 0.789 0.526 CB 1.496 20 residues pruned to eliminate duplicates Z: 28 41.161 2.309 0.886 0.599 0.926 0.704 CB 1.787 28 residues pruned to eliminate duplicates Z: 15 23.234 2.478 0.604 0.504 0.857 0.786 CB 1.816 16 residues pruned to eliminate duplicates Z: 32 27.307 2.387 0.692 0.404 0.806 0.516 CB 1.666 23 residues pruned to eliminate duplicates Z: 28 19.746 2.180 0.699 0.314 0.778 0.444 CB 1.621 28 residues pruned to eliminate duplicates Z: 74 45.916 2.278 0.857 0.405 0.904 0.616 CB 1.553 74 residues pruned to eliminate duplicates Z: 18 14.494 1.993 0.799 0.360 0.765 0.647 CB 1.491 18 residues pruned to eliminate duplicates Z: 15 35.810 2.157 0.916 0.895 1.000 0.786 CB 1.660 15 residues pruned to eliminate duplicates Z: 9 9.895 1.831 0.836 0.500 0.875 0.500 CB 1.189 4 residues pruned to eliminate duplicates Z: 115 61.748 2.337 0.947 0.398 0.877 0.588 CB 1.614 131 residues pruned to eliminate duplicates Z: 129 71.294 2.348 0.837 0.467 0.914 0.609 CB 1.653 129 residues pruned to eliminate duplicates Z: 69 44.473 2.283 0.772 0.389 0.926 0.544 CB 1.619 69 residues pruned to eliminate duplicates Z: 20 51.918 2.544 1.409 0.687 0.895 0.789 CB 1.830 20 residues pruned to eliminate duplicates Z: 16 27.721 2.072 0.549 0.937 1.000 0.733 CB 1.552 16 residues pruned to eliminate duplicates Z: 11 15.550 2.163 0.361 0.731 0.900 0.800 CB 1.508 11 residues pruned to eliminate duplicates Z: 72 46.238 2.298 0.960 0.376 0.887 0.606 CB 1.568 72 residues pruned to eliminate duplicates Z: 85 47.076 2.270 0.832 0.420 0.857 0.631 CB 1.567 85 residues pruned to eliminate duplicates Z: 32 38.594 2.357 0.985 0.467 0.935 0.581 CB 1.639 32 residues pruned to eliminate duplicates Z: 11 22.061 2.038 0.684 0.899 1.000 1.000 CA 1.453 11 residues pruned to eliminate duplicates Z: 83 48.809 2.284 0.690 0.460 0.878 0.634 CB 1.655 83 residues pruned to eliminate duplicates Z: 6 5.977 1.567 0.380 0.725 0.800 0.800 CA 1.262 6 residues pruned to eliminate duplicates Z: 50 50.113 2.378 0.901 0.502 0.878 0.531 CB 1.801 50 residues pruned to eliminate duplicates Z: 14 21.826 2.061 0.447 0.826 0.923 0.846 CB 1.659 14 residues pruned to eliminate duplicates Z: 46 38.781 2.370 0.784 0.492 0.822 0.578 CB 1.677 46 residues pruned to eliminate duplicates Z: 13 19.549 2.273 1.038 0.334 0.833 0.500 CB 1.752 13 residues pruned to eliminate duplicates Z: 46 36.402 2.126 0.693 0.530 0.889 0.667 CB 1.647 60 residues pruned to eliminate duplicates Z: 13 51.543 2.295 1.441 0.927 1.000 0.917 CA 1.861 13 residues pruned to eliminate duplicates Z: 51 51.486 2.445 0.852 0.488 0.900 0.540 CB 1.807 51 residues pruned to eliminate duplicates Z: 24 47.577 2.414 1.156 0.655 0.913 0.783 CB 1.807 24 residues pruned to eliminate duplicates Z: 15 6.439 1.666 0.441 0.339 0.786 0.571 CB 1.088 Z: 54 42.741 2.280 0.955 0.410 0.906 0.642 CB 1.598 54 residues pruned to eliminate duplicates Z: 16 14.710 2.188 0.494 0.445 0.800 0.600 CB 1.538 Z: 68 53.273 2.241 1.080 0.487 0.881 0.627 CB 1.607 68 residues pruned to eliminate duplicates Z: 47 40.977 2.366 0.789 0.491 0.913 0.609 CB 1.578 47 residues pruned to eliminate duplicates Z: 7 10.290 2.026 0.671 0.565 0.833 0.667 C 1.398 7 residues pruned to eliminate duplicates Z: 16 38.394 2.345 0.847 0.904 0.933 0.600 CB 1.747 16 residues pruned to eliminate duplicates Z: 48 27.241 2.252 0.706 0.337 0.830 0.383 CB 1.490 48 residues pruned to eliminate duplicates Z: 12 10.474 1.951 0.786 0.406 0.818 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 50 47.362 2.272 1.003 0.429 0.959 0.673 CB 1.668 50 residues pruned to eliminate duplicates Z: 15 32.218 2.114 0.825 0.886 1.000 0.857 CB 1.610 15 residues pruned to eliminate duplicates Z: 11 23.643 2.045 0.889 0.798 1.000 1.000 CB 1.491 11 residues pruned to eliminate duplicates Z: 87 49.005 2.274 0.923 0.396 0.849 0.512 CB 1.589 87 residues pruned to eliminate duplicates Z: 12 15.645 1.870 0.185 0.913 1.000 0.909 CA 1.506 12 residues pruned to eliminate duplicates Z: 15 31.911 2.115 0.871 0.862 1.000 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 6 4.888 1.823 0.718 0.492 0.800 0.600 CB 0.879 6 residues pruned to eliminate duplicates Z: 14 9.531 1.770 0.992 0.359 0.769 0.692 CB 1.134 15 residues pruned to eliminate duplicates Z: 84 51.069 2.233 0.838 0.473 0.904 0.675 CB 1.553 84 residues pruned to eliminate duplicates Z: 17 17.877 2.244 0.341 0.484 0.875 0.500 CB 1.725 18 residues pruned to eliminate duplicates Z: 17 39.525 2.244 0.885 0.896 1.000 0.625 CB 1.674 17 residues pruned to eliminate duplicates Z: 71 47.583 2.288 0.979 0.403 0.871 0.671 CB 1.596 71 residues pruned to eliminate duplicates Z: 8 12.171 2.016 0.755 0.594 0.857 0.429 CA 1.386 8 residues pruned to eliminate duplicates Z: 74 66.986 2.462 0.945 0.540 0.932 0.562 CB 1.691 74 residues pruned to eliminate duplicates Z: 72 64.496 2.420 0.905 0.524 0.915 0.620 CB 1.771 72 residues pruned to eliminate duplicates Z: 75 50.832 2.259 0.907 0.477 0.892 0.649 CB 1.574 75 residues pruned to eliminate duplicates Z: 19 29.658 2.239 1.247 0.495 0.889 0.611 CB 1.571 19 residues pruned to eliminate duplicates Z: 17 23.524 2.369 0.755 0.497 0.812 0.625 CA 1.746 15 residues pruned to eliminate duplicates Z: 6 3.871 1.333 0.699 0.588 1.000 0.400 CB 0.703 Z: 44 31.141 2.335 0.588 0.410 0.884 0.442 CB 1.592 44 residues pruned to eliminate duplicates Z: 69 48.736 2.197 0.948 0.468 0.912 0.618 CB 1.564 69 residues pruned to eliminate duplicates Z: 18 12.438 2.238 0.571 0.367 0.765 0.294 CB 1.295 18 residues pruned to eliminate duplicates Z: 12 17.007 1.845 0.363 0.890 1.000 0.909 CA 1.467 12 residues pruned to eliminate duplicates Z: 20 34.084 2.335 0.721 0.719 1.000 1.000 CB 1.597 20 residues pruned to eliminate duplicates Z: 88 65.382 2.381 0.969 0.467 0.897 0.632 CB 1.726 88 residues pruned to eliminate duplicates Z: 6 9.443 2.004 0.863 0.551 0.800 0.600 CB 1.346 6 residues pruned to eliminate duplicates Z: 12 25.557 2.013 0.849 0.820 1.000 0.818 CA 1.568 12 residues pruned to eliminate duplicates Z: 12 21.631 1.845 0.636 0.932 1.000 1.000 CA 1.508 12 residues pruned to eliminate duplicates Z: 38 43.002 2.312 0.794 0.586 0.892 0.486 CB 1.760 38 residues pruned to eliminate duplicates Z: 29 34.244 2.291 0.933 0.520 0.929 0.429 CB 1.542 29 residues pruned to eliminate duplicates Z: 12 17.332 1.831 0.567 0.886 1.000 0.636 CB 1.314 12 residues pruned to eliminate duplicates Z: 11 12.946 1.752 0.524 0.737 1.000 0.900 CA 1.239 11 residues pruned to eliminate duplicates Z: 136 73.833 2.376 0.973 0.419 0.881 0.585 CB 1.673 136 residues pruned to eliminate duplicates Z: 12 15.607 1.833 0.472 0.863 1.000 0.909 CB 1.280 12 residues pruned to eliminate duplicates Z: 39 30.427 2.105 0.598 0.531 0.947 0.605 CB 1.503 39 residues pruned to eliminate duplicates Z: 97 58.305 2.256 0.874 0.481 0.875 0.635 CB 1.640 97 residues pruned to eliminate duplicates Z: 14 26.247 2.212 0.534 0.911 1.000 0.923 CB 1.521 14 residues pruned to eliminate duplicates Z: 11 13.308 2.257 0.679 0.371 0.900 0.400 CB 1.417 11 residues pruned to eliminate duplicates Z: 15 32.924 2.423 0.597 0.865 0.929 0.714 CB 1.795 15 residues pruned to eliminate duplicates Z: 9 22.117 2.166 1.052 0.695 1.000 0.750 CB 1.473 9 residues pruned to eliminate duplicates Z: 8 14.916 2.088 0.880 0.542 0.857 0.714 CA 1.607 8 residues pruned to eliminate duplicates Z: 16 46.722 2.320 0.946 0.941 1.000 0.800 CA 1.855 16 residues pruned to eliminate duplicates Z: 18 19.045 1.988 0.343 0.736 0.941 0.824 CA 1.487 18 residues pruned to eliminate duplicates Z: 14 17.323 2.192 1.224 0.355 0.846 0.538 CB 1.362 14 residues pruned to eliminate duplicates Z: 12 16.608 1.824 0.491 0.858 1.000 0.727 CA 1.356 12 residues pruned to eliminate duplicates Z: 8 8.614 1.820 0.263 0.806 0.857 0.857 CB 1.265 8 residues pruned to eliminate duplicates Z: 29 33.502 2.318 0.695 0.602 0.964 0.857 CB 1.516 29 residues pruned to eliminate duplicates Z: 18 21.350 2.342 0.832 0.357 0.882 0.471 CB 1.596 18 residues pruned to eliminate duplicates Z: 15 26.661 2.048 0.645 0.886 1.000 0.929 CB 1.526 15 residues pruned to eliminate duplicates Z: 51 40.772 2.314 0.811 0.443 0.900 0.520 CB 1.622 51 residues pruned to eliminate duplicates Z: 11 10.010 1.805 1.022 0.514 0.800 0.700 CB 1.069 11 residues pruned to eliminate duplicates Z: 17 42.444 2.218 1.210 0.872 0.938 0.562 CB 1.683 17 residues pruned to eliminate duplicates Z: 13 35.253 2.319 0.915 0.862 0.917 0.917 CB 1.835 13 residues pruned to eliminate duplicates Z: 13 15.111 1.683 0.534 0.860 1.000 0.583 CB 1.243 13 residues pruned to eliminate duplicates Z: 8 15.880 1.924 1.074 0.753 1.000 0.714 CA 1.201 8 residues pruned to eliminate duplicates Z: 21 29.238 2.344 1.295 0.424 0.750 0.500 CB 1.754 21 residues pruned to eliminate duplicates Z: 16 27.277 2.155 0.476 0.923 0.933 0.867 CB 1.667 16 residues pruned to eliminate duplicates Z: 15 37.100 2.129 1.095 0.902 1.000 0.857 CB 1.586 15 residues pruned to eliminate duplicates Z: 6 7.435 1.590 0.277 0.862 1.000 0.800 CA 1.201 Z: 16 28.174 2.287 0.741 0.877 0.867 0.733 CB 1.532 16 residues pruned to eliminate duplicates Z: 6 4.437 1.263 0.418 0.847 1.000 0.800 C 0.822 Z: 16 36.757 2.581 1.187 0.486 0.933 0.467 CB 1.826 16 residues pruned to eliminate duplicates Z: 8 14.808 1.972 1.444 0.674 0.857 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 14 30.917 2.126 0.898 0.930 1.000 0.923 CB 1.487 14 residues pruned to eliminate duplicates Z: 10 20.100 1.946 0.545 0.914 1.000 1.000 CB 1.575 10 residues pruned to eliminate duplicates Z: 7 3.852 1.800 0.808 0.429 0.833 0.500 CB 0.624 Z: 7 5.217 1.822 0.151 0.681 0.667 0.500 CA 1.290 7 residues pruned to eliminate duplicates Z: 65 62.368 2.369 1.030 0.493 0.938 0.625 CB 1.740 65 residues pruned to eliminate duplicates Z: 15 13.703 2.064 0.549 0.505 0.857 0.357 CB 1.330 21 residues pruned to eliminate duplicates Z: 27 47.544 2.487 0.886 0.689 0.923 0.615 CB 1.811 27 residues pruned to eliminate duplicates Z: 6 6.760 1.859 0.279 0.686 1.000 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 37 40.579 2.279 0.866 0.550 0.917 0.611 CB 1.652 37 residues pruned to eliminate duplicates Z: 15 36.020 2.100 1.042 0.908 1.000 0.786 CB 1.595 15 residues pruned to eliminate duplicates Z: 86 52.655 2.198 0.821 0.475 0.929 0.612 CB 1.575 86 residues pruned to eliminate duplicates Z: 7 11.258 1.927 0.659 0.683 0.833 0.833 CB 1.459 7 residues pruned to eliminate duplicates Z: 17 27.724 2.306 0.566 0.853 0.875 0.688 CB 1.621 17 residues pruned to eliminate duplicates Z: 8 7.913 1.759 0.648 0.602 0.857 0.714 CB 1.092 Z: 12 21.597 1.856 1.244 0.554 1.000 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 12 21.562 2.272 1.070 0.444 0.818 0.636 CB 1.790 12 residues pruned to eliminate duplicates Z: 13 20.094 1.964 0.672 0.699 0.917 0.833 CB 1.607 13 residues pruned to eliminate duplicates Z: 44 35.575 2.273 0.890 0.433 0.860 0.581 CB 1.574 44 residues pruned to eliminate duplicates Z: 7 4.135 1.626 0.683 0.390 0.667 0.500 CB 1.039 Z: 52 49.136 2.394 0.901 0.542 0.902 0.569 CB 1.609 50 residues pruned to eliminate duplicates Z: 28 34.961 2.189 0.840 0.601 0.889 0.667 CA 1.706 28 residues pruned to eliminate duplicates Z: 16 25.739 2.307 0.550 0.745 0.933 0.867 CB 1.600 16 residues pruned to eliminate duplicates Z: 24 21.806 2.345 0.674 0.368 0.870 0.478 CB 1.536 24 residues pruned to eliminate duplicates 6 1.756 1.300 0.535 0.299 0.600 0.600 C 0.821 ? Z: 15 20.172 2.241 0.562 0.479 0.857 0.643 CB 1.835 15 residues pruned to eliminate duplicates Z: 10 5.172 1.778 0.310 0.260 0.667 0.556 CA 1.461 10 residues pruned to eliminate duplicates Z: 23 38.334 2.328 1.193 0.440 0.955 0.591 CB 1.783 23 residues pruned to eliminate duplicates Z: 8 32.341 2.449 1.482 0.564 1.000 0.571 C 1.889 8 residues pruned to eliminate duplicates Z: 32 31.560 2.373 0.884 0.428 0.839 0.677 CB 1.628 57 residues pruned to eliminate duplicates Z: 101 76.293 2.360 1.131 0.490 0.900 0.650 CB 1.703 101 residues pruned to eliminate duplicates Z: 30 20.040 2.214 0.673 0.329 0.793 0.552 CB 1.529 30 residues pruned to eliminate duplicates Z: 34 47.248 2.375 0.910 0.590 1.000 0.606 CB 1.663 34 residues pruned to eliminate duplicates Z: 28 35.692 2.300 0.667 0.588 0.963 0.741 CB 1.710 28 residues pruned to eliminate duplicates Z: 12 39.237 2.396 0.946 0.875 1.000 0.727 CA 1.846 12 residues pruned to eliminate duplicates Z: 43 35.032 2.263 0.835 0.455 0.857 0.429 CB 1.590 43 residues pruned to eliminate duplicates Z: 20 18.659 1.938 0.782 0.660 0.842 0.579 CB 1.269 20 residues pruned to eliminate duplicates Z: 6 9.405 1.704 0.858 0.584 1.000 0.800 CA 1.225 6 residues pruned to eliminate duplicates Z: 19 29.242 2.294 1.266 0.513 0.833 0.722 CA 1.571 19 residues pruned to eliminate duplicates Z: 23 39.960 2.292 0.938 0.641 1.000 0.727 CB 1.681 23 residues pruned to eliminate duplicates Z: 11 31.464 2.236 0.793 0.914 1.000 0.800 C 1.755 11 residues pruned to eliminate duplicates Z: 15 14.000 1.998 0.593 0.405 0.786 0.786 CB 1.652 15 residues pruned to eliminate duplicates Z: 8 10.687 1.939 0.596 0.580 0.857 0.571 CB 1.410 8 residues pruned to eliminate duplicates Z: 22 34.274 2.400 0.887 0.588 0.857 0.619 CB 1.771 22 residues pruned to eliminate duplicates Z: 52 57.607 2.483 0.964 0.502 0.922 0.549 CB 1.791 52 residues pruned to eliminate duplicates Z: 41 49.144 2.421 1.108 0.499 0.975 0.475 CB 1.562 41 residues pruned to eliminate duplicates Z: 24 29.657 2.242 0.942 0.576 0.870 0.739 CB 1.517 24 residues pruned to eliminate duplicates Z: 29 20.549 2.243 0.779 0.258 0.821 0.571 CB 1.563 29 residues pruned to eliminate duplicates Z: 12 14.837 2.175 0.978 0.382 0.818 0.727 CB 1.442 12 residues pruned to eliminate duplicates Z: 74 49.796 2.294 0.979 0.391 0.890 0.630 CB 1.618 81 residues pruned to eliminate duplicates Z: 50 36.233 2.291 0.709 0.363 0.898 0.571 CB 1.707 50 residues pruned to eliminate duplicates Z: 8 9.773 1.909 0.498 0.479 1.000 0.571 CB 1.320 Z: 10 19.966 2.065 0.726 0.836 0.889 0.778 CA 1.573 10 residues pruned to eliminate duplicates Z: 72 43.900 2.304 0.888 0.355 0.873 0.549 CB 1.604 72 residues pruned to eliminate duplicates Z: 11 16.187 1.922 0.477 0.920 1.000 0.900 CB 1.270 11 residues pruned to eliminate duplicates Z: 41 38.804 2.308 0.709 0.530 0.900 0.550 CB 1.678 41 residues pruned to eliminate duplicates Z: 6 5.417 1.553 0.613 0.711 0.800 0.600 CB 0.998 6 residues pruned to eliminate duplicates Z: 22 9.844 1.824 0.329 0.302 0.762 0.524 CB 1.451 36 residues pruned to eliminate duplicates Z: 11 18.829 2.276 0.953 0.293 1.000 0.500 CB 1.689 11 residues pruned to eliminate duplicates Z: 6 9.954 2.014 0.384 0.758 1.000 0.800 CA 1.270 6 residues pruned to eliminate duplicates Z: 64 40.003 2.266 0.823 0.364 0.857 0.603 CB 1.648 64 residues pruned to eliminate duplicates Z: 21 34.476 2.266 0.678 0.722 1.000 0.850 CB 1.658 21 residues pruned to eliminate duplicates Z: 12 14.266 1.787 0.435 0.888 1.000 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 8 5.929 1.895 0.544 0.487 0.714 0.571 N 1.087 Z: 38 32.401 2.161 0.845 0.411 0.865 0.568 CB 1.695 38 residues pruned to eliminate duplicates Z: 17 25.340 2.185 0.346 0.790 1.000 0.938 CB 1.669 17 residues pruned to eliminate duplicates Z: 79 68.255 2.407 1.117 0.482 0.923 0.692 CB 1.673 79 residues pruned to eliminate duplicates Z: 11 16.538 1.882 0.520 0.806 1.000 0.900 CA 1.400 11 residues pruned to eliminate duplicates Z: 11 25.907 2.072 1.001 0.796 1.000 0.700 CB 1.524 11 residues pruned to eliminate duplicates Z: 8 7.338 1.671 0.355 0.589 1.000 0.571 CB 1.125 Z: 12 18.612 1.790 0.580 0.895 1.000 0.818 CB 1.423 12 residues pruned to eliminate duplicates Z: 7 2.826 1.710 -0.215 0.370 1.000 0.500 CB 0.988 Z: 40 39.811 2.227 0.943 0.456 0.949 0.641 CB 1.625 40 residues pruned to eliminate duplicates Z: 6 2.377 1.553 0.311 0.335 1.000 0.400 C 0.626 Z: 11 18.493 2.035 0.615 0.807 1.000 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 19 25.934 2.240 1.381 0.357 0.833 0.611 CB 1.604 19 residues pruned to eliminate duplicates Z: 10 16.610 1.935 0.553 0.932 1.000 0.778 CB 1.286 10 residues pruned to eliminate duplicates Z: 18 30.255 2.304 0.810 0.538 1.000 0.529 CB 1.696 18 residues pruned to eliminate duplicates Z: 16 35.363 2.353 0.724 0.882 0.933 0.800 CB 1.744 16 residues pruned to eliminate duplicates Z: 20 29.888 2.421 1.165 0.455 0.842 0.579 CB 1.626 20 residues pruned to eliminate duplicates Z: 9 25.895 2.231 1.450 0.704 0.875 0.750 CB 1.590 9 residues pruned to eliminate duplicates Z: 14 26.844 2.264 0.893 0.665 0.846 0.615 CB 1.763 14 residues pruned to eliminate duplicates Z: 9 20.800 2.091 0.557 0.870 1.000 0.875 CA 1.648 9 residues pruned to eliminate duplicates Z: 69 36.726 2.250 0.711 0.349 0.853 0.485 CB 1.598 69 residues pruned to eliminate duplicates Z: 12 33.370 2.383 0.941 0.932 1.000 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 9 6.218 1.966 0.608 0.286 0.750 0.500 CA 1.180 9 residues pruned to eliminate duplicates Z: 36 33.649 2.347 0.895 0.425 0.800 0.629 CB 1.729 44 residues pruned to eliminate duplicates Z: 15 46.993 2.339 1.066 0.912 1.000 0.643 CB 1.840 15 residues pruned to eliminate duplicates Z: 23 35.342 2.412 0.962 0.459 0.864 0.636 CB 1.922 23 residues pruned to eliminate duplicates Z: 6 8.953 1.777 0.914 0.570 0.800 0.800 CB 1.375 6 residues pruned to eliminate duplicates Z: 44 56.444 2.497 0.972 0.560 0.953 0.512 CB 1.730 44 residues pruned to eliminate duplicates Z: 11 20.407 1.922 0.673 0.937 1.000 0.800 CB 1.396 11 residues pruned to eliminate duplicates Z: 21 35.631 2.244 0.805 0.669 1.000 0.850 CB 1.683 21 residues pruned to eliminate duplicates Z: 21 19.295 2.089 0.788 0.448 0.850 0.500 CB 1.433 21 residues pruned to eliminate duplicates Z: 19 28.308 2.198 1.090 0.563 0.889 0.722 CB 1.537 19 residues pruned to eliminate duplicates Z: 57 47.771 2.361 0.823 0.503 0.893 0.589 CB 1.657 57 residues pruned to eliminate duplicates Z: 32 51.169 2.502 1.067 0.566 0.935 0.710 CB 1.781 32 residues pruned to eliminate duplicates Z: 27 47.422 2.337 0.914 0.690 1.000 0.538 CB 1.747 27 residues pruned to eliminate duplicates Z: 33 57.878 2.458 1.274 0.571 0.906 0.719 CB 1.886 33 residues pruned to eliminate duplicates Z: 75 51.339 2.233 0.995 0.459 0.878 0.581 CB 1.591 75 residues pruned to eliminate duplicates Z: 16 35.808 2.382 0.800 0.894 0.867 0.733 CB 1.784 16 residues pruned to eliminate duplicates Z: 14 25.893 2.303 1.154 0.404 0.846 0.769 CA 1.892 14 residues pruned to eliminate duplicates Z: 29 31.706 2.400 0.972 0.358 0.821 0.536 CB 1.797 29 residues pruned to eliminate duplicates Z: 7 12.174 1.797 0.760 0.638 1.000 0.667 CA 1.380 7 residues pruned to eliminate duplicates Z: 48 41.055 2.225 0.961 0.413 0.936 0.638 CB 1.605 48 residues pruned to eliminate duplicates Z: 57 52.179 2.415 0.934 0.519 0.875 0.500 CB 1.675 65 residues pruned to eliminate duplicates Z: 6 8.224 2.023 0.150 0.585 1.000 0.400 CB 1.457 6 residues pruned to eliminate duplicates Z: 13 26.884 2.299 0.436 0.924 1.000 0.917 CB 1.651 13 residues pruned to eliminate duplicates Z: 37 40.675 2.325 1.055 0.475 0.917 0.639 CB 1.587 37 residues pruned to eliminate duplicates Z: 37 31.962 2.275 0.649 0.452 0.861 0.556 CB 1.731 37 residues pruned to eliminate duplicates Z: 12 20.194 2.373 1.169 0.342 1.000 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 17 40.426 2.331 1.223 0.716 0.938 0.750 CB 1.711 17 residues pruned to eliminate duplicates Z: 16 20.972 2.126 0.563 0.858 0.800 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 15 27.481 2.062 0.730 0.837 1.000 0.714 CB 1.540 15 residues pruned to eliminate duplicates Z: 14 23.244 2.335 1.187 0.418 0.846 0.538 CB 1.625 14 residues pruned to eliminate duplicates Z: 71 56.002 2.349 1.037 0.417 0.886 0.600 CB 1.723 71 residues pruned to eliminate duplicates Z: 39 25.741 2.094 0.749 0.417 0.842 0.658 CB 1.476 39 residues pruned to eliminate duplicates Z: 18 18.943 1.981 0.722 0.635 0.824 0.529 CB 1.441 18 residues pruned to eliminate duplicates Z: 10 19.513 2.039 0.981 0.662 0.889 0.667 CA 1.559 10 residues pruned to eliminate duplicates Z: 10 9.970 1.971 0.403 0.427 0.889 0.556 CB 1.458 Z: 25 41.398 2.386 0.854 0.587 0.917 0.667 CA 1.917 25 residues pruned to eliminate duplicates Z: 77 65.937 2.472 0.774 0.532 0.947 0.605 CB 1.765 77 residues pruned to eliminate duplicates Z: 11 8.808 2.132 0.702 0.205 0.700 0.300 CB 1.557 11 residues pruned to eliminate duplicates Z: 8 15.335 2.111 0.109 0.839 1.000 0.857 CB 1.850 8 residues pruned to eliminate duplicates Z: 48 50.141 2.351 1.011 0.450 0.957 0.681 CB 1.701 48 residues pruned to eliminate duplicates Z: 13 20.805 2.360 0.109 0.915 1.000 1.000 CB 1.622 13 residues pruned to eliminate duplicates Z: 55 49.942 2.307 0.931 0.423 0.963 0.611 CB 1.717 55 residues pruned to eliminate duplicates Z: 42 48.381 2.448 0.811 0.554 0.951 0.829 CB 1.699 42 residues pruned to eliminate duplicates Z: 21 35.123 2.153 0.854 0.688 1.000 0.800 CA 1.656 21 residues pruned to eliminate duplicates Z: 20 19.539 1.999 0.864 0.355 0.842 0.526 C 1.671 20 residues pruned to eliminate duplicates Z: 55 61.663 2.423 0.994 0.579 0.907 0.611 CB 1.773 55 residues pruned to eliminate duplicates Z: 51 41.647 2.224 0.862 0.439 0.920 0.620 CB 1.646 51 residues pruned to eliminate duplicates Z: 39 26.479 2.339 0.655 0.315 0.842 0.447 CB 1.616 39 residues pruned to eliminate duplicates Z: 6 9.136 2.028 0.739 0.552 0.800 0.600 CA 1.375 6 residues pruned to eliminate duplicates Z: 16 22.967 2.250 0.678 0.480 0.933 0.800 CB 1.716 10 residues pruned to eliminate duplicates Z: 7 12.060 1.752 0.710 0.688 1.000 0.667 CA 1.384 7 residues pruned to eliminate duplicates Z: 39 52.418 2.479 0.937 0.548 0.974 0.579 CB 1.734 39 residues pruned to eliminate duplicates Z: 48 47.262 2.307 1.052 0.438 0.957 0.723 CB 1.620 48 residues pruned to eliminate duplicates Z: 6 2.170 1.435 0.445 0.297 0.600 0.400 N 0.979 Z: 39 39.343 2.297 1.005 0.445 0.921 0.632 CB 1.593 39 residues pruned to eliminate duplicates Z: 28 22.048 2.074 0.830 0.347 0.778 0.593 CB 1.697 28 residues pruned to eliminate duplicates Z: 14 11.546 2.095 0.883 0.251 0.769 0.538 CB 1.405 14 residues pruned to eliminate duplicates Z: 18 31.588 2.382 1.127 0.454 0.824 0.647 CB 1.925 18 residues pruned to eliminate duplicates Z: 38 37.479 2.342 0.673 0.537 0.892 0.541 CB 1.699 38 residues pruned to eliminate duplicates Z: 8 16.696 2.089 0.238 0.802 1.000 0.714 CA 1.875 8 residues pruned to eliminate duplicates Z: 51 48.359 2.386 0.884 0.472 0.880 0.480 CB 1.779 51 residues pruned to eliminate duplicates Z: 9 19.993 2.124 1.331 0.620 0.875 0.875 CB 1.457 9 residues pruned to eliminate duplicates Z: 30 34.884 2.254 0.879 0.588 0.931 0.517 CB 1.510 30 residues pruned to eliminate duplicates Z: 45 42.878 2.352 0.896 0.486 0.909 0.523 CB 1.618 45 residues pruned to eliminate duplicates Z: 15 34.807 2.060 1.274 0.870 0.929 0.429 CB 1.561 15 residues pruned to eliminate duplicates Z: 61 41.965 2.191 0.958 0.413 0.900 0.583 CB 1.537 61 residues pruned to eliminate duplicates Z: 8 5.199 1.673 0.569 0.481 1.000 0.571 CB 0.763 8 residues pruned to eliminate duplicates Z: 6 4.854 1.952 0.226 0.747 1.000 1.000 CB 0.727 Z: 19 30.024 2.323 0.934 0.474 0.889 0.778 CB 1.820 19 residues pruned to eliminate duplicates Z: 17 20.820 2.352 0.738 0.445 0.750 0.688 CA 1.796 17 residues pruned to eliminate duplicates Z: 6 6.691 2.022 0.510 0.587 0.800 0.600 CB 1.127 5 residues pruned to eliminate duplicates Z: 23 24.313 2.337 0.890 0.398 0.727 0.545 CB 1.797 23 residues pruned to eliminate duplicates Z: 34 25.670 2.063 0.831 0.502 0.909 0.697 CB 1.299 34 residues pruned to eliminate duplicates Z: 70 46.355 2.343 0.798 0.394 0.913 0.652 CB 1.622 70 residues pruned to eliminate duplicates Z: 20 32.663 2.427 1.148 0.398 0.895 0.632 CB 1.788 20 residues pruned to eliminate duplicates Z: 19 56.183 2.546 1.275 0.656 1.000 0.833 CB 1.977 19 residues pruned to eliminate duplicates Z: 39 38.689 2.385 0.887 0.435 0.868 0.553 CB 1.717 39 residues pruned to eliminate duplicates Z: 7 7.353 1.986 0.480 0.333 1.000 0.667 C 1.226 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 16.711 2.003 0.694 0.460 0.824 0.529 CB 1.512 18 residues pruned to eliminate duplicates Z: 15 20.383 2.160 0.877 0.478 0.857 0.714 CA 1.603 17 residues pruned to eliminate duplicates Z: 6 5.246 1.687 0.644 0.552 1.000 0.200 CA 0.804 6 residues pruned to eliminate duplicates Z: 10 18.960 2.223 0.765 0.553 0.889 0.667 CA 1.721 10 residues pruned to eliminate duplicates Z: 9 19.598 2.233 0.850 0.604 1.000 1.000 CA 1.520 9 residues pruned to eliminate duplicates Z: 16 16.143 2.049 0.614 0.368 0.867 0.533 CA 1.675 16 residues pruned to eliminate duplicates Z: 15 17.266 2.154 0.703 0.372 0.786 0.714 CA 1.836 15 residues pruned to eliminate duplicates Z: 17 16.370 2.097 0.738 0.362 0.812 0.750 CB 1.603 17 residues pruned to eliminate duplicates Z: 19 16.564 1.968 0.688 0.366 0.833 0.500 CA 1.629 19 residues pruned to eliminate duplicates Z: 17 18.337 2.118 0.643 0.451 0.875 0.625 CA 1.583 17 residues pruned to eliminate duplicates Z: 14 8.489 1.911 0.278 0.434 0.846 0.692 CB 1.220 9 residues pruned to eliminate duplicates Z: 6 4.226 1.649 0.227 0.418 0.800 0.400 CB 1.272 6 residues pruned to eliminate duplicates Z: 14 11.579 1.911 0.339 0.466 1.000 0.615 CB 1.299 28 residues pruned to eliminate duplicates Z: 8 7.832 1.894 0.600 0.519 0.714 0.571 CB 1.342 8 residues pruned to eliminate duplicates Z: 13 13.791 1.816 0.682 0.552 1.000 0.333 CB 1.239 Z: 6 4.876 1.693 1.053 0.300 0.800 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 82 55.231 2.231 0.885 0.483 0.914 0.667 CB 1.625 95 residues pruned to eliminate duplicates Z: 32 40.425 2.193 0.938 0.636 0.935 0.774 CB 1.608 32 residues pruned to eliminate duplicates Z: 11 15.637 2.121 0.746 0.466 0.900 0.700 CB 1.536 11 residues pruned to eliminate duplicates Z: 17 33.504 2.320 1.188 0.539 0.938 0.812 CB 1.693 17 residues pruned to eliminate duplicates Z: 47 34.644 2.064 0.810 0.494 0.891 0.609 CB 1.544 47 residues pruned to eliminate duplicates Z: 30 36.164 2.177 0.808 0.616 0.931 0.759 CB 1.641 30 residues pruned to eliminate duplicates Z: 17 30.014 2.183 1.128 0.543 0.938 0.812 CB 1.653 17 residues pruned to eliminate duplicates Z: 15 16.098 2.067 1.150 0.355 0.786 0.500 CB 1.442 15 residues pruned to eliminate duplicates Z: 44 43.674 2.201 0.966 0.512 0.884 0.698 CB 1.721 44 residues pruned to eliminate duplicates Z: 6 4.508 1.717 0.390 0.375 1.000 0.800 CA 0.965 6 residues pruned to eliminate duplicates Z: 91 45.745 2.251 0.692 0.431 0.878 0.578 CB 1.548 91 residues pruned to eliminate duplicates Z: 17 22.162 2.058 0.550 0.697 1.000 0.625 CB 1.451 17 residues pruned to eliminate duplicates Z: 22 33.932 2.151 0.780 0.726 0.952 0.714 CB 1.656 22 residues pruned to eliminate duplicates Z: 43 40.350 2.183 0.991 0.540 0.905 0.714 CB 1.522 43 residues pruned to eliminate duplicates Z: 106 53.147 2.240 0.848 0.433 0.876 0.610 CB 1.532 106 residues pruned to eliminate duplicates Z: 12 19.297 2.035 0.755 0.500 1.000 0.636 CA 1.629 12 residues pruned to eliminate duplicates Z: 14 16.318 2.046 0.765 0.469 1.000 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 68 40.364 2.237 0.761 0.402 0.881 0.582 CB 1.575 68 residues pruned to eliminate duplicates Z: 70 39.794 2.288 0.749 0.385 0.855 0.522 CB 1.582 70 residues pruned to eliminate duplicates Z: 71 39.710 2.231 0.729 0.414 0.857 0.571 CB 1.570 71 residues pruned to eliminate duplicates Z: 20 15.088 1.911 0.770 0.343 0.842 0.421 CB 1.441 20 residues pruned to eliminate duplicates Z: 55 40.925 2.212 0.740 0.479 0.907 0.593 CB 1.629 55 residues pruned to eliminate duplicates Z: 71 43.321 2.293 0.817 0.403 0.871 0.543 CB 1.579 71 residues pruned to eliminate duplicates Z: 68 41.314 2.303 0.779 0.383 0.866 0.597 CB 1.611 68 residues pruned to eliminate duplicates Z: 66 41.933 2.269 0.872 0.388 0.862 0.585 CB 1.600 66 residues pruned to eliminate duplicates Z: 72 41.751 2.279 0.769 0.407 0.873 0.606 CB 1.551 72 residues pruned to eliminate duplicates Z: 64 46.209 2.291 0.897 0.427 0.905 0.635 CB 1.597 64 residues pruned to eliminate duplicates Z: 105 62.331 2.316 0.880 0.484 0.913 0.654 CB 1.562 105 residues pruned to eliminate duplicates Z: 91 54.877 2.256 0.913 0.440 0.867 0.600 CB 1.645 91 residues pruned to eliminate duplicates Z: 75 46.452 2.245 0.924 0.405 0.865 0.527 CB 1.598 75 residues pruned to eliminate duplicates Z: 70 51.705 2.256 0.957 0.497 0.884 0.652 CB 1.599 70 residues pruned to eliminate duplicates Z: 49 41.108 2.288 0.794 0.456 0.917 0.708 CB 1.649 49 residues pruned to eliminate duplicates Z: 71 37.530 2.264 0.810 0.363 0.814 0.600 CB 1.557 71 residues pruned to eliminate duplicates Z: 67 42.507 2.318 0.799 0.386 0.864 0.606 CB 1.640 67 residues pruned to eliminate duplicates Z: 129 65.148 2.395 0.864 0.393 0.875 0.594 CB 1.650 129 residues pruned to eliminate duplicates Z: 48 40.515 2.262 0.806 0.468 0.894 0.681 CB 1.673 48 residues pruned to eliminate duplicates Z: 72 45.212 2.312 0.837 0.381 0.901 0.592 CB 1.590 72 residues pruned to eliminate duplicates Z: 68 40.961 2.298 0.787 0.373 0.881 0.597 CB 1.586 68 residues pruned to eliminate duplicates Z: 68 42.474 2.274 0.896 0.383 0.851 0.627 CB 1.603 68 residues pruned to eliminate duplicates Z: 69 45.058 2.280 0.938 0.379 0.897 0.544 CB 1.569 69 residues pruned to eliminate duplicates Z: 76 50.601 2.258 0.924 0.434 0.880 0.600 CB 1.636 76 residues pruned to eliminate duplicates Z: 81 48.162 2.245 0.882 0.425 0.875 0.613 CB 1.575 81 residues pruned to eliminate duplicates Z: 79 50.666 2.236 0.863 0.453 0.910 0.590 CB 1.587 79 residues pruned to eliminate duplicates Z: 102 52.985 2.226 0.880 0.434 0.842 0.584 CB 1.602 102 residues pruned to eliminate duplicates Z: 62 44.153 2.296 0.826 0.417 0.902 0.672 CB 1.630 62 residues pruned to eliminate duplicates Z: 81 52.122 2.273 0.900 0.442 0.887 0.688 CB 1.614 81 residues pruned to eliminate duplicates Z: 72 41.115 2.264 0.849 0.382 0.859 0.592 CB 1.538 72 residues pruned to eliminate duplicates Z: 103 61.488 2.303 0.909 0.457 0.902 0.598 CB 1.605 103 residues pruned to eliminate duplicates Z: 49 46.118 2.266 0.966 0.452 0.958 0.646 CB 1.637 49 residues pruned to eliminate duplicates Z: 66 44.686 2.323 0.827 0.399 0.892 0.646 CB 1.629 66 residues pruned to eliminate duplicates Z: 109 66.241 2.384 0.922 0.428 0.898 0.565 CB 1.669 109 residues pruned to eliminate duplicates Z: 59 46.251 2.336 0.890 0.412 0.914 0.621 CB 1.651 59 residues pruned to eliminate duplicates Z: 91 56.260 2.256 0.960 0.457 0.889 0.622 CB 1.577 91 residues pruned to eliminate duplicates Z: 52 43.887 2.312 0.909 0.427 0.922 0.647 CB 1.630 52 residues pruned to eliminate duplicates Z: 50 39.853 2.280 0.934 0.410 0.918 0.653 CB 1.544 50 residues pruned to eliminate duplicates Z: 87 52.378 2.244 0.901 0.448 0.907 0.628 CB 1.541 87 residues pruned to eliminate duplicates Z: 64 46.593 2.330 0.942 0.390 0.889 0.651 CB 1.640 64 residues pruned to eliminate duplicates Z: 71 42.038 2.208 0.992 0.359 0.857 0.586 CB 1.552 71 residues pruned to eliminate duplicates Z: 49 43.037 2.299 0.939 0.420 0.917 0.646 CB 1.652 49 residues pruned to eliminate duplicates Z: 90 48.159 2.255 0.831 0.418 0.876 0.596 CB 1.536 90 residues pruned to eliminate duplicates Z: 69 41.623 2.288 0.906 0.371 0.853 0.618 CB 1.558 69 residues pruned to eliminate duplicates Z: 83 48.404 2.214 0.993 0.405 0.890 0.671 CB 1.503 83 residues pruned to eliminate duplicates Z: 62 41.004 2.260 0.837 0.409 0.852 0.590 CB 1.631 62 residues pruned to eliminate duplicates Z: 54 37.985 2.283 0.892 0.392 0.887 0.585 CB 1.528 54 residues pruned to eliminate duplicates Z: 71 43.778 2.231 0.844 0.435 0.871 0.657 CB 1.560 71 residues pruned to eliminate duplicates Z: 87 46.613 2.311 0.873 0.355 0.872 0.593 CB 1.558 87 residues pruned to eliminate duplicates Z: 89 38.118 2.165 0.848 0.350 0.818 0.568 CB 1.460 89 residues pruned to eliminate duplicates Z: 10 10.585 2.152 0.805 0.236 0.778 0.667 CB 1.587 10 residues pruned to eliminate duplicates Z: 22 20.797 2.326 0.746 0.343 0.857 0.619 CB 1.547 22 residues pruned to eliminate duplicates Z: 65 44.830 2.241 0.904 0.399 0.906 0.578 CB 1.612 65 residues pruned to eliminate duplicates Z: 67 52.087 2.338 1.068 0.392 0.909 0.621 CB 1.635 67 residues pruned to eliminate duplicates Z: 69 47.022 2.311 1.009 0.386 0.868 0.544 CB 1.597 69 residues pruned to eliminate duplicates Z: 105 52.099 2.232 0.882 0.413 0.865 0.606 CB 1.540 105 residues pruned to eliminate duplicates Z: 37 37.334 2.368 0.810 0.451 0.917 0.528 CB 1.666 37 residues pruned to eliminate duplicates Z: 21 17.582 2.040 0.657 0.356 0.850 0.450 CB 1.599 21 residues pruned to eliminate duplicates Z: 35 21.744 2.171 0.786 0.309 0.824 0.559 CB 1.444 35 residues pruned to eliminate duplicates Z: 66 44.142 2.262 0.931 0.381 0.908 0.477 CB 1.568 66 residues pruned to eliminate duplicates Z: 82 54.478 2.339 1.046 0.386 0.864 0.556 CB 1.652 82 residues pruned to eliminate duplicates Z: 70 56.265 2.326 0.867 0.536 0.884 0.594 CB 1.703 70 residues pruned to eliminate duplicates Z: 68 49.755 2.277 1.020 0.401 0.896 0.627 CB 1.638 68 residues pruned to eliminate duplicates Z: 70 46.580 2.261 0.878 0.387 0.913 0.565 CB 1.631 70 residues pruned to eliminate duplicates Z: 53 56.754 2.463 0.930 0.510 0.885 0.538 CB 1.854 53 residues pruned to eliminate duplicates Z: 14 38.668 2.495 1.555 0.486 0.923 0.538 CA 1.849 14 residues pruned to eliminate duplicates Z: 65 60.082 2.517 0.846 0.454 0.938 0.578 CB 1.808 65 residues pruned to eliminate duplicates Z: 51 57.266 2.454 0.962 0.519 0.920 0.520 CB 1.795 51 residues pruned to eliminate duplicates Z: 52 51.075 2.435 0.959 0.505 0.843 0.569 CB 1.770 52 residues pruned to eliminate duplicates Z: 14 39.698 2.532 1.718 0.506 0.846 0.769 CB 1.880 14 residues pruned to eliminate duplicates Z: 53 52.321 2.455 0.874 0.511 0.885 0.558 CB 1.763 53 residues pruned to eliminate duplicates Z: 44 50.677 2.449 0.943 0.495 0.907 0.535 CB 1.801 44 residues pruned to eliminate duplicates Z: 55 45.224 2.361 0.848 0.454 0.833 0.463 CB 1.774 55 residues pruned to eliminate duplicates Z: 24 34.698 2.531 1.273 0.377 0.826 0.565 CB 1.737 24 residues pruned to eliminate duplicates Z: 23 23.075 2.250 0.890 0.295 0.818 0.500 CA 1.779 23 residues pruned to eliminate duplicates Z: 80 74.514 2.457 0.981 0.543 0.949 0.608 CB 1.740 80 residues pruned to eliminate duplicates Z: 50 57.707 2.465 1.026 0.515 0.918 0.469 CB 1.771 50 residues pruned to eliminate duplicates Z: 50 48.350 2.421 0.929 0.493 0.837 0.469 CB 1.781 50 residues pruned to eliminate duplicates Z: 92 60.908 2.399 0.861 0.467 0.879 0.593 CB 1.683 92 residues pruned to eliminate duplicates Z: 27 36.106 2.535 1.157 0.387 0.846 0.462 CB 1.725 27 residues pruned to eliminate duplicates Z: 24 22.943 2.394 1.025 0.272 0.739 0.435 CB 1.730 24 residues pruned to eliminate duplicates Z: 37 31.303 2.373 0.916 0.386 0.778 0.500 CB 1.665 37 residues pruned to eliminate duplicates Z: 61 50.965 2.435 0.897 0.440 0.867 0.600 CB 1.748 61 residues pruned to eliminate duplicates Z: 39 45.763 2.435 0.773 0.486 0.947 0.605 CB 1.841 39 residues pruned to eliminate duplicates Z: 14 10.744 2.311 0.610 0.163 0.769 0.385 CB 1.569 14 residues pruned to eliminate duplicates Z: 30 37.320 2.342 0.595 0.555 0.966 0.586 CB 1.821 30 residues pruned to eliminate duplicates Z: 78 61.882 2.450 0.821 0.504 0.922 0.662 CB 1.708 78 residues pruned to eliminate duplicates Z: 49 49.027 2.456 0.934 0.527 0.854 0.583 CB 1.699 49 residues pruned to eliminate duplicates Z: 45 52.877 2.449 0.988 0.530 0.909 0.591 CB 1.748 45 residues pruned to eliminate duplicates Z: 69 63.613 2.441 0.895 0.526 0.941 0.676 CB 1.728 69 residues pruned to eliminate duplicates Z: 30 46.550 2.430 0.902 0.611 1.000 0.621 CB 1.684 30 residues pruned to eliminate duplicates Z: 38 41.915 2.287 0.726 0.555 0.946 0.541 CB 1.749 54 residues pruned to eliminate duplicates Z: 58 51.712 2.407 0.728 0.561 0.947 0.649 CB 1.639 58 residues pruned to eliminate duplicates Z: 79 69.610 2.465 0.918 0.521 0.936 0.641 CB 1.744 79 residues pruned to eliminate duplicates Z: 52 59.311 2.486 0.810 0.576 0.961 0.686 CB 1.786 52 residues pruned to eliminate duplicates Z: 55 40.833 2.266 0.818 0.469 0.907 0.519 CB 1.534 55 residues pruned to eliminate duplicates Z: 52 43.956 2.419 0.938 0.472 0.843 0.588 CB 1.602 52 residues pruned to eliminate duplicates Z: 32 46.310 2.475 0.851 0.619 0.903 0.581 CB 1.797 32 residues pruned to eliminate duplicates Z: 40 43.684 2.345 0.862 0.518 0.949 0.538 CB 1.659 40 residues pruned to eliminate duplicates Z: 68 56.395 2.426 0.749 0.513 0.955 0.582 CB 1.677 68 residues pruned to eliminate duplicates Z: 66 61.888 2.473 0.926 0.531 0.892 0.615 CB 1.752 66 residues pruned to eliminate duplicates Z: 36 52.190 2.386 0.935 0.629 0.971 0.486 CB 1.743 36 residues pruned to eliminate duplicates Z: 72 64.543 2.478 0.819 0.531 0.944 0.563 CB 1.747 72 residues pruned to eliminate duplicates Z: 58 61.689 2.413 0.899 0.581 0.982 0.596 CB 1.680 58 residues pruned to eliminate duplicates Z: 52 39.310 2.328 0.839 0.403 0.863 0.412 CB 1.649 52 residues pruned to eliminate duplicates Z: 57 66.916 2.474 0.953 0.608 0.964 0.607 CB 1.732 57 residues pruned to eliminate duplicates Z: 64 51.824 2.413 0.967 0.420 0.857 0.460 CB 1.746 64 residues pruned to eliminate duplicates Z: 72 66.589 2.461 0.978 0.522 0.915 0.634 CB 1.736 72 residues pruned to eliminate duplicates Z: 47 46.078 2.360 0.992 0.493 0.913 0.565 CB 1.593 47 residues pruned to eliminate duplicates Z: 56 68.773 2.508 0.933 0.609 0.982 0.691 CB 1.756 56 residues pruned to eliminate duplicates Z: 54 59.208 2.454 1.004 0.524 0.943 0.585 CB 1.712 54 residues pruned to eliminate duplicates Z: 55 50.460 2.390 0.851 0.533 0.944 0.648 CB 1.591 55 residues pruned to eliminate duplicates Z: 33 37.968 2.390 0.787 0.517 0.969 0.688 CB 1.596 33 residues pruned to eliminate duplicates Z: 32 36.685 2.426 0.693 0.527 0.935 0.806 CB 1.670 32 residues pruned to eliminate duplicates Z: 54 50.276 2.352 0.989 0.498 0.943 0.642 CB 1.568 54 residues pruned to eliminate duplicates Z: 32 38.673 2.388 0.995 0.554 0.935 0.742 CB 1.478 32 residues pruned to eliminate duplicates Z: 77 61.836 2.431 0.865 0.512 0.908 0.645 CB 1.702 77 residues pruned to eliminate duplicates Z: 32 45.500 2.415 1.039 0.532 0.935 0.613 CB 1.719 32 residues pruned to eliminate duplicates Z: 18 27.149 2.607 1.048 0.338 0.882 0.647 CB 1.667 18 residues pruned to eliminate duplicates Z: 64 55.295 2.435 0.879 0.490 0.921 0.460 CB 1.670 64 residues pruned to eliminate duplicates Z: 66 62.688 2.465 0.870 0.538 0.954 0.662 CB 1.704 66 residues pruned to eliminate duplicates Z: 20 39.761 2.379 0.817 0.712 1.000 0.789 CB 1.741 20 residues pruned to eliminate duplicates Z: 21 32.144 2.304 0.749 0.693 0.950 0.850 CB 1.574 21 residues pruned to eliminate duplicates Z: 21 19.597 2.450 0.829 0.258 0.850 0.450 CB 1.517 21 residues pruned to eliminate duplicates Z: 22 35.810 2.277 0.915 0.632 0.952 0.762 CB 1.662 22 residues pruned to eliminate duplicates Z: 57 66.098 2.484 0.859 0.617 0.982 0.679 CB 1.744 57 residues pruned to eliminate duplicates Z: 22 32.622 2.252 0.815 0.636 0.952 0.714 CB 1.610 22 residues pruned to eliminate duplicates Z: 22 33.982 2.307 0.814 0.648 0.952 0.762 CB 1.620 22 residues pruned to eliminate duplicates Z: 63 59.302 2.443 1.043 0.491 0.935 0.629 CB 1.628 63 residues pruned to eliminate duplicates Z: 32 39.770 2.408 0.912 0.549 0.968 0.548 CB 1.528 32 residues pruned to eliminate duplicates Z: 20 36.655 2.312 0.837 0.692 1.000 0.789 CB 1.661 20 residues pruned to eliminate duplicates Z: 57 66.006 2.474 1.003 0.600 0.982 0.536 CB 1.647 57 residues pruned to eliminate duplicates Z: 55 60.957 2.431 1.085 0.557 0.944 0.611 CB 1.640 55 residues pruned to eliminate duplicates Z: 31 39.424 2.450 1.058 0.535 0.900 0.667 CB 1.533 32 residues pruned to eliminate duplicates Z: 13 38.557 2.345 1.060 0.937 1.000 0.917 CB 1.603 13 residues pruned to eliminate duplicates Z: 13 34.498 2.308 1.057 0.935 1.000 0.750 CB 1.462 13 residues pruned to eliminate duplicates Z: 57 67.427 2.487 1.057 0.595 0.964 0.625 CB 1.669 57 residues pruned to eliminate duplicates Z: 19 20.980 2.324 0.709 0.374 0.833 0.611 CB 1.710 Z: 6 6.850 1.810 1.033 0.440 0.800 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 18 20.622 2.384 0.650 0.416 0.765 0.647 CB 1.814 18 residues pruned to eliminate duplicates Z: 16 26.667 2.530 0.826 0.465 0.800 0.733 CA 1.932 19 residues pruned to eliminate duplicates Z: 7 7.083 2.253 0.187 0.396 0.833 0.833 CB 1.449 7 residues pruned to eliminate duplicates Z: 16 24.834 2.384 0.761 0.421 0.867 0.667 CA 1.914 16 residues pruned to eliminate duplicates Z: 6 5.417 1.948 0.169 0.341 1.000 0.400 CA 1.265 6 residues pruned to eliminate duplicates Z: 18 20.855 2.321 0.784 0.457 0.765 0.529 CB 1.669 18 residues pruned to eliminate duplicates Z: 6 2.526 1.418 0.634 0.294 0.800 0.400 CB 0.768 6 residues pruned to eliminate duplicates Z: 20 31.917 2.352 1.295 0.426 0.895 0.737 CB 1.637 20 residues pruned to eliminate duplicates Z: 17 32.743 2.386 1.455 0.507 0.812 0.750 CB 1.708 17 residues pruned to eliminate duplicates Z: 27 25.963 2.283 0.810 0.373 0.808 0.577 CB 1.747 27 residues pruned to eliminate duplicates Z: 11 34.063 2.414 1.272 0.655 1.000 0.900 CB 1.700 11 residues pruned to eliminate duplicates Z: 26 28.890 2.399 0.789 0.390 0.840 0.600 CB 1.802 42 residues pruned to eliminate duplicates Z: 26 25.992 2.434 0.751 0.400 0.800 0.600 CB 1.694 26 residues pruned to eliminate duplicates Z: 24 27.895 2.433 0.840 0.375 0.826 0.609 CB 1.797 24 residues pruned to eliminate duplicates Z: 37 61.150 2.458 1.320 0.589 0.889 0.694 CB 1.847 37 residues pruned to eliminate duplicates Z: 68 61.472 2.437 1.030 0.505 0.866 0.687 CB 1.746 68 residues pruned to eliminate duplicates Z: 95 61.118 2.365 0.937 0.424 0.904 0.617 CB 1.647 95 residues pruned to eliminate duplicates Z: 76 64.102 2.468 1.065 0.496 0.867 0.600 CB 1.682 72 residues pruned to eliminate duplicates Z: 6 8.442 1.961 0.910 0.282 0.800 0.200 O 1.612 6 residues pruned to eliminate duplicates Z: 9 28.712 2.249 1.440 0.545 1.000 0.750 CB 1.771 9 residues pruned to eliminate duplicates Z: 69 71.277 2.464 1.104 0.540 0.912 0.662 CB 1.758 69 residues pruned to eliminate duplicates Z: 18 39.608 2.564 0.869 0.687 0.882 0.765 CB 1.915 18 residues pruned to eliminate duplicates Z: 22 43.665 2.565 1.100 0.583 0.857 0.714 CB 1.905 22 residues pruned to eliminate duplicates Z: 78 62.517 2.407 0.977 0.470 0.896 0.597 CB 1.723 78 residues pruned to eliminate duplicates Z: 24 43.099 2.471 1.090 0.548 0.913 0.565 CB 1.819 24 residues pruned to eliminate duplicates Z: 85 62.616 2.412 0.962 0.443 0.893 0.631 CB 1.715 85 residues pruned to eliminate duplicates Z: 38 56.542 2.442 1.239 0.585 0.892 0.703 CB 1.757 38 residues pruned to eliminate duplicates Z: 133 83.578 2.423 0.994 0.460 0.894 0.583 CB 1.754 133 residues pruned to eliminate duplicates Z: 69 54.638 2.383 0.832 0.438 0.926 0.662 CB 1.746 69 residues pruned to eliminate duplicates Z: 18 44.957 2.490 1.198 0.702 0.882 0.647 CA 1.879 18 residues pruned to eliminate duplicates Z: 81 73.026 2.442 1.083 0.499 0.913 0.688 CB 1.761 81 residues pruned to eliminate duplicates Z: 19 48.061 2.529 1.170 0.646 0.944 0.667 CB 1.907 19 residues pruned to eliminate duplicates Z: 18 54.138 2.540 1.345 0.773 0.882 0.765 CB 1.962 18 residues pruned to eliminate duplicates Z: 38 62.947 2.525 1.423 0.563 0.865 0.676 CB 1.841 38 residues pruned to eliminate duplicates Z: 68 56.501 2.324 1.014 0.463 0.925 0.612 CB 1.655 68 residues pruned to eliminate duplicates Z: 79 65.577 2.375 1.027 0.478 0.897 0.628 CB 1.758 79 residues pruned to eliminate duplicates Z: 83 64.728 2.422 1.038 0.444 0.878 0.610 CB 1.747 83 residues pruned to eliminate duplicates Z: 36 41.755 2.394 0.944 0.480 0.914 0.486 CB 1.694 36 residues pruned to eliminate duplicates Z: 85 53.762 2.353 0.866 0.412 0.881 0.631 CB 1.664 85 residues pruned to eliminate duplicates Z: 80 60.145 2.386 0.946 0.475 0.886 0.595 CB 1.686 80 residues pruned to eliminate duplicates Z: 70 47.021 2.288 0.858 0.384 0.928 0.594 CB 1.625 70 residues pruned to eliminate duplicates Z: 14 20.505 2.278 0.943 0.380 0.769 0.462 CB 1.898 14 residues pruned to eliminate duplicates Z: 68 62.288 2.403 1.054 0.472 0.910 0.642 CB 1.742 68 residues pruned to eliminate duplicates Z: 80 66.602 2.387 0.974 0.490 0.924 0.646 CB 1.738 80 residues pruned to eliminate duplicates Z: 59 48.981 2.314 0.972 0.412 0.914 0.621 CB 1.691 59 residues pruned to eliminate duplicates Z: 70 62.481 2.411 0.981 0.463 0.942 0.667 CB 1.737 70 residues pruned to eliminate duplicates Z: 37 42.262 2.355 0.961 0.481 0.944 0.639 CB 1.647 37 residues pruned to eliminate duplicates Z: 33 41.251 2.381 0.920 0.524 0.906 0.719 CB 1.719 33 residues pruned to eliminate duplicates Z: 57 38.177 2.264 0.959 0.364 0.839 0.554 CB 1.587 57 residues pruned to eliminate duplicates Z: 68 46.913 2.335 0.934 0.390 0.881 0.552 CB 1.620 68 residues pruned to eliminate duplicates Z: 36 44.193 2.421 0.982 0.504 0.914 0.657 CB 1.697 36 residues pruned to eliminate duplicates Z: 79 53.930 2.317 0.857 0.439 0.910 0.615 CB 1.660 79 residues pruned to eliminate duplicates Z: 65 69.207 2.428 1.176 0.514 0.922 0.625 CB 1.751 65 residues pruned to eliminate duplicates Z: 89 62.518 2.377 0.959 0.443 0.909 0.568 CB 1.670 89 residues pruned to eliminate duplicates Z: 49 40.746 2.337 0.863 0.398 0.875 0.646 CB 1.718 49 residues pruned to eliminate duplicates Z: 64 49.022 2.325 0.995 0.413 0.873 0.619 CB 1.670 64 residues pruned to eliminate duplicates Z: 63 52.152 2.343 0.954 0.431 0.919 0.645 CB 1.691 63 residues pruned to eliminate duplicates Z: 54 46.852 2.339 1.026 0.397 0.925 0.585 CB 1.637 54 residues pruned to eliminate duplicates Z: 88 63.207 2.351 0.996 0.461 0.897 0.621 CB 1.676 88 residues pruned to eliminate duplicates Z: 70 47.895 2.308 0.935 0.406 0.870 0.594 CB 1.638 70 residues pruned to eliminate duplicates Z: 67 50.013 2.357 0.981 0.394 0.894 0.606 CB 1.649 67 residues pruned to eliminate duplicates Z: 71 46.368 2.339 0.870 0.386 0.886 0.629 CB 1.615 71 residues pruned to eliminate duplicates Z: 63 51.902 2.373 1.003 0.417 0.903 0.629 CB 1.675 63 residues pruned to eliminate duplicates Z: 50 39.877 2.213 0.932 0.416 0.878 0.612 CB 1.658 50 residues pruned to eliminate duplicates Z: 63 60.054 2.406 1.010 0.502 0.903 0.645 CB 1.742 63 residues pruned to eliminate duplicates Z: 52 41.540 2.314 0.831 0.422 0.902 0.588 CB 1.651 52 residues pruned to eliminate duplicates Z: 53 38.349 2.250 0.841 0.381 0.904 0.558 CB 1.613 53 residues pruned to eliminate duplicates Z: 73 44.580 2.314 0.836 0.383 0.889 0.597 CB 1.575 73 residues pruned to eliminate duplicates Z: 75 45.005 2.263 0.926 0.371 0.865 0.635 CB 1.593 75 residues pruned to eliminate duplicates Z: 50 44.435 2.336 0.887 0.388 0.939 0.612 CB 1.727 50 residues pruned to eliminate duplicates Z: 79 65.039 2.409 1.007 0.485 0.885 0.667 CB 1.748 79 residues pruned to eliminate duplicates Z: 64 53.307 2.334 1.033 0.412 0.921 0.603 CB 1.686 64 residues pruned to eliminate duplicates Z: 29 26.508 2.203 0.940 0.337 0.929 0.500 CB 1.507 29 residues pruned to eliminate duplicates Z: 133 75.229 2.388 0.953 0.445 0.894 0.568 CB 1.662 133 residues pruned to eliminate duplicates Z: 78 44.925 2.240 0.876 0.393 0.857 0.584 CB 1.592 78 residues pruned to eliminate duplicates Z: 64 63.889 2.424 1.067 0.495 0.905 0.730 CB 1.784 64 residues pruned to eliminate duplicates Z: 67 51.663 2.348 0.980 0.432 0.848 0.667 CB 1.729 67 residues pruned to eliminate duplicates Z: 68 44.827 2.337 0.867 0.388 0.851 0.657 CB 1.662 68 residues pruned to eliminate duplicates Z: 51 42.339 2.327 0.838 0.395 0.900 0.620 CB 1.738 51 residues pruned to eliminate duplicates Z: 52 46.261 2.277 1.005 0.424 0.922 0.627 CB 1.666 52 residues pruned to eliminate duplicates Z: 72 49.036 2.355 0.944 0.401 0.859 0.606 CB 1.641 72 residues pruned to eliminate duplicates Z: 89 62.983 2.379 1.048 0.461 0.875 0.636 CB 1.640 89 residues pruned to eliminate duplicates Z: 76 49.951 2.269 0.972 0.397 0.880 0.640 CB 1.633 76 residues pruned to eliminate duplicates Z: 65 46.438 2.299 0.908 0.398 0.891 0.641 CB 1.654 65 residues pruned to eliminate duplicates Z: 82 64.815 2.365 1.020 0.485 0.901 0.593 CB 1.697 82 residues pruned to eliminate duplicates Z: 78 66.512 2.387 1.050 0.487 0.909 0.636 CB 1.727 78 residues pruned to eliminate duplicates Z: 87 62.217 2.386 0.956 0.454 0.895 0.605 CB 1.684 87 residues pruned to eliminate duplicates Z: 71 46.616 2.298 0.878 0.393 0.900 0.629 CB 1.607 71 residues pruned to eliminate duplicates Z: 67 44.574 2.300 0.914 0.383 0.879 0.621 CB 1.605 67 residues pruned to eliminate duplicates Z: 157 86.929 2.412 0.972 0.462 0.897 0.622 CB 1.696 157 residues pruned to eliminate duplicates Z: 106 72.204 2.387 1.049 0.460 0.895 0.676 CB 1.676 106 residues pruned to eliminate duplicates Z: 69 48.826 2.312 0.948 0.391 0.882 0.603 CB 1.673 69 residues pruned to eliminate duplicates Z: 68 49.081 2.354 0.906 0.393 0.896 0.582 CB 1.670 68 residues pruned to eliminate duplicates Z: 62 50.772 2.322 1.010 0.393 0.885 0.607 CB 1.762 62 residues pruned to eliminate duplicates Z: 138 84.553 2.387 0.929 0.500 0.905 0.606 CB 1.733 138 residues pruned to eliminate duplicates Z: 23 18.698 2.146 0.973 0.416 0.636 0.455 CB 1.616 23 residues pruned to eliminate duplicates Z: 10 12.721 2.026 0.845 0.375 0.778 0.444 C 1.666 10 residues pruned to eliminate duplicates Z: 49 54.082 2.446 0.936 0.508 0.917 0.521 CB 1.784 49 residues pruned to eliminate duplicates Z: 21 36.260 2.514 1.166 0.378 0.900 0.650 CB 1.885 22 residues pruned to eliminate duplicates Z: 6 8.691 1.999 1.013 0.275 0.800 0.400 C 1.558 6 residues pruned to eliminate duplicates Z: 54 41.038 2.320 0.709 0.464 0.887 0.509 CB 1.662 54 residues pruned to eliminate duplicates Z: 45 39.397 2.324 0.777 0.483 0.886 0.523 CB 1.650 45 residues pruned to eliminate duplicates Z: 78 61.468 2.432 0.861 0.495 0.896 0.649 CB 1.736 78 residues pruned to eliminate duplicates Z: 79 59.812 2.411 0.837 0.525 0.910 0.628 CB 1.638 79 residues pruned to eliminate duplicates Z: 51 50.343 2.438 0.894 0.510 0.880 0.580 CB 1.734 51 residues pruned to eliminate duplicates Z: 61 53.046 2.478 0.981 0.431 0.867 0.617 CB 1.730 61 residues pruned to eliminate duplicates Z: 56 48.316 2.420 0.849 0.449 0.891 0.527 CB 1.722 56 residues pruned to eliminate duplicates Z: 79 58.629 2.389 0.753 0.482 0.923 0.615 CB 1.749 79 residues pruned to eliminate duplicates Z: 27 27.770 2.461 1.010 0.342 0.808 0.423 CB 1.618 27 residues pruned to eliminate duplicates Z: 78 66.922 2.439 0.974 0.504 0.922 0.597 CB 1.711 78 residues pruned to eliminate duplicates Z: 7 6.860 1.832 0.460 0.532 0.833 0.333 CB 1.217 Z: 7 6.823 1.853 0.443 0.516 0.833 0.667 CB 1.230 Z: 6 4.022 1.691 0.196 0.559 0.800 0.400 CA 1.050 Z: 6 6.655 1.839 0.437 0.443 0.800 0.800 C 1.493 Z: 6 11.819 2.107 0.553 0.461 1.000 0.800 CB 1.680 12 residues pruned to eliminate duplicates Z: 35 36.857 2.282 0.629 0.607 0.912 0.500 CB 1.684 35 residues pruned to eliminate duplicates Z: 57 55.353 2.405 0.787 0.564 0.946 0.714 CB 1.708 57 residues pruned to eliminate duplicates Z: 45 35.485 2.240 0.745 0.489 0.886 0.568 CB 1.561 45 residues pruned to eliminate duplicates Z: 57 57.723 2.402 0.813 0.567 0.964 0.625 CB 1.721 57 residues pruned to eliminate duplicates Z: 57 62.497 2.430 0.900 0.584 0.982 0.679 CB 1.700 57 residues pruned to eliminate duplicates Z: 58 57.345 2.385 0.824 0.577 0.965 0.649 CB 1.680 58 residues pruned to eliminate duplicates Z: 43 47.622 2.418 0.921 0.474 0.929 0.476 CB 1.750 43 residues pruned to eliminate duplicates Z: 78 71.121 2.457 0.953 0.527 0.948 0.584 CB 1.734 78 residues pruned to eliminate duplicates Z: 68 56.835 2.382 0.867 0.506 0.940 0.627 CB 1.650 68 residues pruned to eliminate duplicates Z: 67 58.818 2.451 1.029 0.443 0.879 0.561 CB 1.757 67 residues pruned to eliminate duplicates Z: 59 51.429 2.412 0.922 0.439 0.879 0.552 CB 1.765 59 residues pruned to eliminate duplicates Z: 32 37.847 2.318 0.798 0.578 0.935 0.452 CB 1.617 32 residues pruned to eliminate duplicates Z: 38 38.514 2.260 0.812 0.534 0.919 0.514 CB 1.628 38 residues pruned to eliminate duplicates Z: 37 51.718 2.438 0.947 0.553 0.972 0.611 CB 1.774 37 residues pruned to eliminate duplicates Z: 47 34.536 2.289 0.652 0.476 0.826 0.457 CB 1.669 47 residues pruned to eliminate duplicates Z: 38 34.019 2.348 0.625 0.510 0.892 0.568 CB 1.627 38 residues pruned to eliminate duplicates Z: 30 44.529 2.519 0.953 0.532 0.966 0.759 CB 1.687 30 residues pruned to eliminate duplicates Z: 31 45.266 2.472 0.988 0.518 0.967 0.767 CB 1.708 31 residues pruned to eliminate duplicates Z: 31 41.803 2.459 0.969 0.527 0.933 0.667 CB 1.644 31 residues pruned to eliminate duplicates Z: 34 40.208 2.413 0.962 0.517 0.939 0.667 CB 1.548 34 residues pruned to eliminate duplicates Z: 57 60.282 2.412 0.973 0.586 0.911 0.643 CB 1.712 57 residues pruned to eliminate duplicates Z: 78 64.437 2.422 0.941 0.524 0.896 0.636 CB 1.703 78 residues pruned to eliminate duplicates Z: 41 43.374 2.376 0.905 0.544 0.900 0.650 CB 1.612 41 residues pruned to eliminate duplicates Z: 68 51.041 2.295 0.825 0.532 0.896 0.672 CB 1.611 68 residues pruned to eliminate duplicates Z: 73 54.893 2.383 0.929 0.453 0.889 0.583 CB 1.661 73 residues pruned to eliminate duplicates Z: 32 40.778 2.426 0.917 0.509 0.968 0.806 CB 1.613 32 residues pruned to eliminate duplicates Z: 76 62.169 2.443 0.939 0.493 0.920 0.547 CB 1.658 76 residues pruned to eliminate duplicates Z: 32 47.660 2.453 1.158 0.500 0.935 0.710 CB 1.729 32 residues pruned to eliminate duplicates Z: 57 60.657 2.439 0.965 0.587 0.911 0.696 CB 1.709 57 residues pruned to eliminate duplicates Z: 54 46.626 2.355 0.843 0.523 0.906 0.585 CB 1.592 54 residues pruned to eliminate duplicates Z: 20 43.146 2.400 1.106 0.671 1.000 0.789 CB 1.673 20 residues pruned to eliminate duplicates Z: 57 52.395 2.357 0.894 0.581 0.893 0.589 CB 1.625 57 residues pruned to eliminate duplicates Z: 31 39.637 2.446 0.914 0.527 0.900 0.667 CB 1.672 31 residues pruned to eliminate duplicates Z: 19 28.776 2.325 0.690 0.671 0.889 0.667 CB 1.658 19 residues pruned to eliminate duplicates Z: 25 23.838 2.210 0.611 0.536 0.875 0.625 CB 1.508 25 residues pruned to eliminate duplicates Z: 20 37.579 2.399 1.057 0.681 0.895 0.789 CB 1.653 41 residues pruned to eliminate duplicates Z: 15 29.796 2.117 0.850 0.880 0.929 0.857 CB 1.587 15 residues pruned to eliminate duplicates Z: 62 58.831 2.412 0.893 0.552 0.934 0.623 CB 1.678 62 residues pruned to eliminate duplicates Z: 75 64.094 2.400 1.013 0.525 0.892 0.608 CB 1.687 75 residues pruned to eliminate duplicates Z: 77 62.243 2.379 1.066 0.491 0.895 0.553 CB 1.638 77 residues pruned to eliminate duplicates Z: 59 66.573 2.399 1.053 0.599 0.966 0.638 CB 1.672 59 residues pruned to eliminate duplicates Z: 55 66.465 2.461 1.054 0.586 0.926 0.500 CB 1.779 55 residues pruned to eliminate duplicates Z: 30 52.287 2.521 1.243 0.539 0.966 0.655 CB 1.712 30 residues pruned to eliminate duplicates Z: 27 31.638 2.265 0.957 0.556 0.885 0.654 CB 1.499 27 residues pruned to eliminate duplicates 355 residues left after pruning, divided into chains as follows: A: 179 B: 157 C: 19 CC for partial structure against native data = 40.02 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.527, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.610, Connect. = 0.788 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.738, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.753, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.759, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.772, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.773, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2618 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 605 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 86 57.866 2.406 0.816 0.447 0.894 0.600 CB 1.696 B: 72 62.834 2.431 0.944 0.512 0.915 0.648 CB 1.703 72 residues pruned to eliminate duplicates C: 28 28.317 2.383 1.053 0.383 0.815 0.519 CB 1.547 34 residues pruned to eliminate duplicates D: 13 38.976 2.210 1.058 0.864 1.000 0.750 C 1.814 E: 13 43.627 2.447 0.973 0.934 1.000 1.000 CB 1.819 13 residues pruned to eliminate duplicates F: 14 23.627 2.283 0.246 0.876 1.000 0.846 CB 1.673 14 residues pruned to eliminate duplicates G: 17 28.089 2.404 1.263 0.472 0.750 0.625 CB 1.771 H: 17 42.732 2.233 0.920 0.897 1.000 0.812 CB 1.783 17 residues pruned to eliminate duplicates I: 13 42.609 2.313 1.290 0.808 0.917 0.750 CB 1.937 14 residues pruned to eliminate duplicates J: 52 51.888 2.401 0.928 0.480 0.902 0.569 CB 1.775 52 residues pruned to eliminate duplicates K: 11 14.179 2.324 1.045 0.438 0.600 0.500 CB 1.676 12 residues pruned to eliminate duplicates L: 13 32.668 2.318 0.969 0.812 0.833 0.833 CA 1.891 13 residues pruned to eliminate duplicates M: 32 62.818 2.548 1.170 0.600 0.903 0.742 CB 2.054 29 residues pruned to eliminate duplicates N: 16 23.388 2.435 1.149 0.315 0.867 0.600 CB 1.634 16 residues pruned to eliminate duplicates O: 16 47.995 2.391 1.122 0.915 0.933 0.800 CB 1.850 16 residues pruned to eliminate duplicates P: 37 35.544 2.351 1.017 0.365 0.833 0.389 CB 1.732 36 residues pruned to eliminate duplicates Q: 12 52.256 2.497 1.175 0.875 1.000 0.909 C 2.111 12 residues pruned to eliminate duplicates R: 13 30.572 2.421 0.413 0.927 1.000 1.000 CB 1.809 14 residues pruned to eliminate duplicates S: 12 56.500 2.580 1.225 0.934 1.000 0.818 CB 2.070 12 residues pruned to eliminate duplicates T: 8 15.803 2.017 0.635 0.773 1.000 0.714 C 1.423 U: 15 32.466 2.498 1.343 0.472 0.857 0.714 CB 1.779 15 residues pruned to eliminate duplicates V: 82 58.223 2.412 0.907 0.448 0.864 0.667 CB 1.717 15 residues pruned to eliminate duplicates W: 18 46.941 2.583 1.382 0.567 0.941 0.882 CB 1.843 18 residues pruned to eliminate duplicates X: 14 25.203 2.279 0.295 0.897 1.000 0.923 CB 1.696 14 residues pruned to eliminate duplicates Y: 13 45.336 2.376 1.161 0.921 1.000 0.583 CA 1.794 13 residues pruned to eliminate duplicates Z: 35 47.196 2.433 1.021 0.573 0.853 0.735 CB 1.799 35 residues pruned to eliminate duplicates Z: 62 50.350 2.387 0.875 0.413 0.885 0.492 CB 1.783 Z: 9 11.869 2.306 1.019 0.423 0.625 0.625 CA 1.563 9 residues pruned to eliminate duplicates Z: 104 69.202 2.405 0.974 0.456 0.874 0.641 CB 1.719 105 residues pruned to eliminate duplicates Z: 71 62.278 2.425 0.993 0.468 0.914 0.643 CB 1.740 71 residues pruned to eliminate duplicates Z: 14 39.009 2.210 1.118 0.877 0.923 0.846 CA 1.818 14 residues pruned to eliminate duplicates Z: 8 13.015 1.959 1.110 0.504 1.000 0.429 CA 1.186 8 residues pruned to eliminate duplicates Z: 78 65.102 2.460 0.861 0.503 0.909 0.545 CB 1.777 50 residues pruned to eliminate duplicates Z: 11 25.113 2.388 1.128 0.619 0.900 0.700 CB 1.552 11 residues pruned to eliminate duplicates Z: 15 30.103 2.165 0.570 0.908 1.000 0.857 CB 1.681 15 residues pruned to eliminate duplicates Z: 74 65.049 2.487 0.877 0.503 0.932 0.630 CB 1.746 74 residues pruned to eliminate duplicates Z: 12 11.084 2.161 0.992 0.532 0.727 0.545 CB 1.035 12 residues pruned to eliminate duplicates Z: 26 28.977 2.120 1.147 0.484 0.840 0.600 CB 1.539 Z: 17 33.058 2.285 0.547 0.899 0.938 0.812 CB 1.782 17 residues pruned to eliminate duplicates Z: 17 37.661 2.389 0.784 0.894 0.875 0.812 CB 1.812 17 residues pruned to eliminate duplicates Z: 11 44.072 2.499 1.142 0.940 1.000 0.900 CB 1.809 11 residues pruned to eliminate duplicates Z: 17 38.707 2.337 0.885 0.870 0.875 0.688 CB 1.832 17 residues pruned to eliminate duplicates Z: 40 31.055 2.316 0.886 0.289 0.821 0.410 CB 1.758 40 residues pruned to eliminate duplicates Z: 15 25.208 2.138 0.543 0.832 0.929 0.786 CB 1.652 15 residues pruned to eliminate duplicates Z: 6 14.520 2.234 0.859 0.468 1.000 0.600 CA 1.615 6 residues pruned to eliminate duplicates Z: 16 44.288 2.434 0.876 0.919 0.933 0.600 CB 1.890 16 residues pruned to eliminate duplicates Z: 15 19.672 2.130 0.087 0.910 1.000 0.929 CB 1.611 15 residues pruned to eliminate duplicates Z: 31 41.432 2.482 0.834 0.547 0.967 0.800 CB 1.642 31 residues pruned to eliminate duplicates Z: 63 45.539 2.299 0.890 0.413 0.903 0.629 CB 1.613 24 residues pruned to eliminate duplicates Z: 8 9.752 1.912 0.510 0.735 0.857 0.714 CA 1.206 8 residues pruned to eliminate duplicates Z: 17 33.237 2.378 0.638 0.874 0.875 0.875 CB 1.774 17 residues pruned to eliminate duplicates Z: 78 70.159 2.487 0.963 0.547 0.909 0.571 CB 1.720 78 residues pruned to eliminate duplicates Z: 138 78.081 2.377 0.893 0.464 0.905 0.591 CB 1.699 137 residues pruned to eliminate duplicates Z: 32 38.872 2.435 0.845 0.518 0.935 0.742 CB 1.632 32 residues pruned to eliminate duplicates Z: 77 64.936 2.505 0.944 0.526 0.855 0.632 CB 1.743 77 residues pruned to eliminate duplicates Z: 17 43.869 2.324 1.002 0.898 0.938 0.812 CA 1.799 17 residues pruned to eliminate duplicates Z: 16 26.832 2.054 0.517 0.904 1.000 0.867 CB 1.584 16 residues pruned to eliminate duplicates Z: 13 36.377 2.360 0.839 0.885 1.000 0.917 CA 1.747 13 residues pruned to eliminate duplicates Z: 16 45.376 2.420 0.985 0.895 0.933 0.600 CA 1.874 16 residues pruned to eliminate duplicates Z: 15 26.452 2.175 0.373 0.908 1.000 0.929 CB 1.680 14 residues pruned to eliminate duplicates Z: 12 26.073 2.553 1.289 0.312 0.909 0.545 CB 1.823 12 residues pruned to eliminate duplicates Z: 75 65.605 2.490 0.924 0.496 0.878 0.595 CB 1.819 75 residues pruned to eliminate duplicates Z: 18 34.783 2.380 0.848 0.646 0.882 0.588 CB 1.897 18 residues pruned to eliminate duplicates Z: 13 44.054 2.296 1.190 0.875 1.000 0.833 CA 1.838 13 residues pruned to eliminate duplicates Z: 17 11.231 2.068 0.620 0.240 0.812 0.438 CB 1.394 17 residues pruned to eliminate duplicates Z: 31 37.999 2.457 0.695 0.564 0.967 0.800 CB 1.620 31 residues pruned to eliminate duplicates Z: 16 46.336 2.540 1.021 0.720 0.933 0.733 CB 2.047 16 residues pruned to eliminate duplicates Z: 10 16.533 1.950 0.358 0.811 1.000 0.778 CA 1.587 10 residues pruned to eliminate duplicates Z: 25 18.445 2.235 0.860 0.245 0.750 0.375 CB 1.621 25 residues pruned to eliminate duplicates Z: 73 60.880 2.459 0.910 0.528 0.889 0.597 CB 1.672 73 residues pruned to eliminate duplicates Z: 60 50.794 2.342 1.025 0.429 0.898 0.678 CB 1.670 60 residues pruned to eliminate duplicates Z: 17 41.606 2.319 0.962 0.875 0.938 0.688 CB 1.774 17 residues pruned to eliminate duplicates Z: 147 78.237 2.401 0.852 0.455 0.897 0.623 CB 1.700 137 residues pruned to eliminate duplicates Z: 114 66.363 2.322 0.894 0.432 0.894 0.566 CB 1.704 114 residues pruned to eliminate duplicates Z: 17 38.071 2.323 0.755 0.895 0.938 0.875 CA 1.785 17 residues pruned to eliminate duplicates Z: 15 27.481 2.110 0.607 0.906 1.000 0.929 CB 1.540 15 residues pruned to eliminate duplicates Z: 9 21.062 2.207 0.434 0.855 1.000 0.875 CA 1.736 9 residues pruned to eliminate duplicates Z: 17 35.459 2.244 0.614 0.860 1.000 0.938 CB 1.800 17 residues pruned to eliminate duplicates Z: 31 33.763 2.265 0.646 0.568 0.933 0.600 CB 1.658 31 residues pruned to eliminate duplicates Z: 16 35.024 2.375 0.425 0.914 1.000 0.933 CA 1.890 16 residues pruned to eliminate duplicates Z: 6 12.255 2.044 0.582 0.713 1.000 1.000 CA 1.397 6 residues pruned to eliminate duplicates Z: 22 27.671 2.276 0.771 0.600 0.905 0.810 CB 1.505 22 residues pruned to eliminate duplicates Z: 13 31.909 2.359 0.630 0.935 1.000 0.917 CB 1.669 13 residues pruned to eliminate duplicates Z: 10 16.399 2.088 0.299 0.885 1.000 0.889 CA 1.455 10 residues pruned to eliminate duplicates Z: 15 32.100 2.176 0.696 0.903 1.000 0.857 CB 1.656 14 residues pruned to eliminate duplicates Z: 10 19.970 2.203 0.456 0.856 1.000 1.000 CA 1.531 10 residues pruned to eliminate duplicates Z: 13 36.767 2.333 0.789 0.906 1.000 0.917 CB 1.809 13 residues pruned to eliminate duplicates Z: 27 19.094 2.251 0.736 0.261 0.769 0.385 CB 1.637 27 residues pruned to eliminate duplicates Z: 54 46.240 2.361 0.945 0.403 0.887 0.660 CB 1.727 54 residues pruned to eliminate duplicates Z: 91 56.760 2.358 0.846 0.437 0.878 0.622 CB 1.671 91 residues pruned to eliminate duplicates Z: 16 38.767 2.385 0.851 0.894 0.933 0.733 CB 1.743 16 residues pruned to eliminate duplicates Z: 75 48.040 2.224 0.863 0.429 0.878 0.635 CB 1.653 71 residues pruned to eliminate duplicates Z: 14 31.586 2.266 0.582 0.891 1.000 0.846 CB 1.757 14 residues pruned to eliminate duplicates Z: 71 50.186 2.344 0.926 0.386 0.900 0.600 CB 1.667 71 residues pruned to eliminate duplicates Z: 53 34.270 2.215 0.706 0.406 0.865 0.635 CB 1.603 53 residues pruned to eliminate duplicates Z: 68 41.748 2.292 0.795 0.382 0.896 0.582 CB 1.569 68 residues pruned to eliminate duplicates Z: 141 76.050 2.378 0.874 0.445 0.921 0.607 CB 1.656 141 residues pruned to eliminate duplicates Z: 14 33.929 2.273 0.746 0.929 0.923 0.846 CA 1.797 15 residues pruned to eliminate duplicates Z: 7 15.512 1.829 0.862 0.667 1.000 0.500 C 1.594 7 residues pruned to eliminate duplicates Z: 44 37.753 2.252 0.906 0.457 0.907 0.651 CB 1.545 44 residues pruned to eliminate duplicates Z: 31 35.944 2.443 0.652 0.531 0.967 0.800 CB 1.631 31 residues pruned to eliminate duplicates Z: 57 47.295 2.323 0.839 0.444 0.929 0.661 CB 1.688 57 residues pruned to eliminate duplicates Z: 14 29.574 2.202 0.612 0.929 1.000 0.923 CB 1.617 15 residues pruned to eliminate duplicates Z: 14 29.719 2.211 1.112 0.846 0.923 0.692 CB 1.421 14 residues pruned to eliminate duplicates Z: 81 38.070 2.231 0.830 0.354 0.800 0.562 CB 1.526 81 residues pruned to eliminate duplicates Z: 11 19.972 1.986 1.142 0.610 0.900 0.700 CB 1.487 11 residues pruned to eliminate duplicates Z: 71 42.616 2.293 0.814 0.384 0.871 0.600 CB 1.589 71 residues pruned to eliminate duplicates Z: 17 39.919 2.285 0.896 0.897 0.938 0.625 CB 1.758 17 residues pruned to eliminate duplicates Z: 12 18.757 1.841 0.516 0.898 1.000 0.818 CB 1.450 12 residues pruned to eliminate duplicates Z: 10 7.034 1.821 0.348 0.461 0.889 0.667 CB 1.118 8 residues pruned to eliminate duplicates Z: 15 9.573 1.674 0.425 0.542 0.857 0.500 CB 1.201 10 residues pruned to eliminate duplicates Z: 73 51.316 2.337 0.928 0.386 0.917 0.611 CB 1.653 73 residues pruned to eliminate duplicates Z: 90 60.926 2.406 0.944 0.435 0.888 0.618 CB 1.664 90 residues pruned to eliminate duplicates 6 1.968 1.888 -0.526 0.669 0.800 0.400 CB 1.053 ? Z: 70 48.021 2.345 0.834 0.389 0.899 0.623 CB 1.683 70 residues pruned to eliminate duplicates Z: 27 22.139 2.250 0.763 0.353 0.769 0.538 CB 1.668 27 residues pruned to eliminate duplicates Z: 18 21.725 2.227 0.799 0.457 0.765 0.588 CA 1.798 Z: 45 42.539 2.366 0.839 0.476 0.864 0.545 CB 1.748 45 residues pruned to eliminate duplicates Z: 65 64.549 2.505 0.794 0.545 0.953 0.656 CB 1.803 65 residues pruned to eliminate duplicates Z: 12 57.588 2.521 1.404 0.929 1.000 0.909 CB 2.005 12 residues pruned to eliminate duplicates Z: 16 15.370 2.218 0.579 0.426 0.733 0.600 CA 1.670 16 residues pruned to eliminate duplicates Z: 17 33.744 2.248 0.754 0.817 0.938 0.750 CB 1.732 17 residues pruned to eliminate duplicates Z: 11 11.502 1.943 0.690 0.468 1.000 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 17 16.692 2.096 0.609 0.400 0.875 0.688 CA 1.571 3 residues pruned to eliminate duplicates Z: 16 40.891 2.368 0.872 0.891 0.933 0.800 CA 1.835 16 residues pruned to eliminate duplicates Z: 52 46.109 2.394 0.989 0.459 0.882 0.549 CB 1.603 52 residues pruned to eliminate duplicates Z: 20 29.697 2.313 0.578 0.678 1.000 0.842 CB 1.585 20 residues pruned to eliminate duplicates Z: 43 31.765 2.220 0.679 0.417 0.905 0.571 CB 1.585 43 residues pruned to eliminate duplicates Z: 37 39.634 2.420 0.740 0.550 0.889 0.722 CB 1.681 37 residues pruned to eliminate duplicates Z: 14 23.764 2.243 0.264 0.883 1.000 1.000 CB 1.680 14 residues pruned to eliminate duplicates Z: 63 51.806 2.309 0.979 0.439 0.903 0.661 CB 1.697 63 residues pruned to eliminate duplicates Z: 11 28.550 2.056 1.138 0.660 1.000 0.800 CB 1.770 11 residues pruned to eliminate duplicates Z: 78 68.619 2.459 0.890 0.532 0.935 0.662 CB 1.745 78 residues pruned to eliminate duplicates Z: 58 40.058 2.255 0.851 0.372 0.895 0.614 CB 1.630 58 residues pruned to eliminate duplicates Z: 55 43.319 2.401 0.837 0.420 0.852 0.500 CB 1.706 55 residues pruned to eliminate duplicates Z: 53 61.768 2.481 0.953 0.521 0.942 0.558 CB 1.837 53 residues pruned to eliminate duplicates Z: 27 17.748 1.872 0.582 0.483 0.885 0.654 CA 1.351 27 residues pruned to eliminate duplicates Z: 52 46.156 2.319 1.016 0.417 0.902 0.569 CB 1.672 52 residues pruned to eliminate duplicates Z: 10 14.299 1.854 0.350 0.841 1.000 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 13 25.073 2.348 1.103 0.590 0.917 0.833 CB 1.466 13 residues pruned to eliminate duplicates Z: 44 34.110 2.245 0.672 0.449 0.884 0.419 CB 1.652 44 residues pruned to eliminate duplicates Z: 71 47.213 2.315 0.926 0.396 0.900 0.586 CB 1.569 71 residues pruned to eliminate duplicates Z: 16 40.941 2.385 0.855 0.912 0.933 0.733 CB 1.812 16 residues pruned to eliminate duplicates Z: 46 40.444 2.234 0.900 0.455 0.889 0.667 CB 1.674 46 residues pruned to eliminate duplicates Z: 16 31.454 2.405 0.590 0.858 0.867 0.867 CB 1.806 16 residues pruned to eliminate duplicates Z: 22 18.143 2.181 0.536 0.414 0.810 0.571 CB 1.597 22 residues pruned to eliminate duplicates Z: 48 43.097 2.344 0.910 0.414 0.894 0.638 CB 1.720 48 residues pruned to eliminate duplicates Z: 23 43.341 2.524 1.125 0.587 0.909 0.636 CB 1.744 23 residues pruned to eliminate duplicates Z: 64 41.865 2.308 0.885 0.424 0.841 0.603 CB 1.560 64 residues pruned to eliminate duplicates Z: 16 21.896 2.223 0.723 0.465 0.933 0.733 CA 1.638 17 residues pruned to eliminate duplicates Z: 19 18.137 1.994 0.747 0.370 0.944 0.556 CA 1.493 17 residues pruned to eliminate duplicates Z: 11 19.592 2.295 0.980 0.627 0.900 0.600 CB 1.344 11 residues pruned to eliminate duplicates Z: 17 30.523 2.245 0.696 0.860 0.875 0.562 CB 1.684 17 residues pruned to eliminate duplicates Z: 8 11.142 1.966 0.310 0.818 0.857 0.857 CB 1.448 8 residues pruned to eliminate duplicates Z: 29 19.231 2.146 0.726 0.319 0.786 0.536 CB 1.523 29 residues pruned to eliminate duplicates Z: 146 82.765 2.410 0.909 0.444 0.917 0.600 CB 1.726 146 residues pruned to eliminate duplicates Z: 17 20.852 2.213 0.907 0.481 0.750 0.625 CA 1.680 17 residues pruned to eliminate duplicates Z: 21 26.808 2.291 0.452 0.692 0.950 0.700 CB 1.592 20 residues pruned to eliminate duplicates Z: 17 38.350 2.301 0.708 0.919 1.000 0.750 CB 1.719 17 residues pruned to eliminate duplicates Z: 11 19.643 1.909 0.822 0.804 0.900 0.800 CA 1.521 11 residues pruned to eliminate duplicates Z: 6 5.663 2.171 -0.238 0.541 1.000 0.600 CB 1.471 6 residues pruned to eliminate duplicates Z: 88 45.199 2.202 0.780 0.447 0.816 0.575 CB 1.600 88 residues pruned to eliminate duplicates Z: 12 52.785 2.462 1.358 0.938 1.000 0.909 CB 1.907 12 residues pruned to eliminate duplicates Z: 11 15.736 2.319 1.440 0.400 0.700 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 18 17.652 2.073 0.753 0.339 0.882 0.529 CA 1.590 20 residues pruned to eliminate duplicates Z: 9 24.228 2.178 0.809 0.819 1.000 0.750 CA 1.649 9 residues pruned to eliminate duplicates Z: 13 39.338 2.418 0.930 0.930 1.000 0.833 CB 1.702 13 residues pruned to eliminate duplicates Z: 26 45.425 2.402 0.776 0.626 1.000 0.720 CA 1.891 26 residues pruned to eliminate duplicates Z: 30 49.738 2.490 1.082 0.514 0.931 0.621 CB 1.887 30 residues pruned to eliminate duplicates 6 1.103 2.187 0.883 0.297 0.400 0.400 CB 0.376 ? Z: 57 47.400 2.343 0.675 0.570 0.946 0.714 CB 1.594 57 residues pruned to eliminate duplicates Z: 16 34.617 2.504 1.194 0.529 0.867 0.733 CB 1.824 16 residues pruned to eliminate duplicates Z: 6 10.812 1.908 0.599 0.740 1.000 0.600 CA 1.279 6 residues pruned to eliminate duplicates Z: 53 38.501 2.252 0.788 0.399 0.923 0.615 CB 1.598 53 residues pruned to eliminate duplicates Z: 10 18.014 2.147 0.481 0.779 1.000 0.889 CB 1.477 10 residues pruned to eliminate duplicates Z: 32 42.717 2.457 0.982 0.497 0.935 0.613 CB 1.690 32 residues pruned to eliminate duplicates Z: 32 31.559 2.166 0.706 0.597 0.871 0.677 CB 1.607 32 residues pruned to eliminate duplicates Z: 13 32.631 2.397 0.593 0.938 1.000 0.917 CB 1.715 13 residues pruned to eliminate duplicates Z: 11 22.684 2.139 0.782 0.736 1.000 0.800 CB 1.523 11 residues pruned to eliminate duplicates Z: 15 29.323 2.154 0.734 0.918 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 11 17.354 1.930 0.490 0.907 1.000 0.800 CB 1.357 11 residues pruned to eliminate duplicates Z: 12 17.358 1.951 0.889 0.555 0.909 0.727 CB 1.480 12 residues pruned to eliminate duplicates Z: 13 23.905 2.291 0.384 0.885 1.000 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 10 17.899 2.075 0.454 0.814 1.000 0.667 CA 1.505 10 residues pruned to eliminate duplicates Z: 28 24.871 2.367 1.015 0.375 0.741 0.444 CB 1.549 28 residues pruned to eliminate duplicates Z: 56 45.396 2.361 0.890 0.432 0.873 0.491 CB 1.686 56 residues pruned to eliminate duplicates Z: 9 14.169 2.295 1.097 0.463 0.875 0.750 CB 1.235 9 residues pruned to eliminate duplicates Z: 36 50.572 2.424 0.726 0.599 0.943 0.600 CB 1.971 36 residues pruned to eliminate duplicates Z: 16 27.082 2.150 0.413 0.924 1.000 0.800 CB 1.617 16 residues pruned to eliminate duplicates Z: 17 28.481 2.194 0.750 0.842 0.938 0.688 CB 1.474 17 residues pruned to eliminate duplicates Z: 8 11.968 1.910 0.145 0.860 1.000 0.857 CB 1.521 8 residues pruned to eliminate duplicates Z: 44 35.369 2.154 0.651 0.507 0.907 0.674 CB 1.661 44 residues pruned to eliminate duplicates Z: 75 48.410 2.219 0.741 0.462 0.932 0.676 CB 1.624 75 residues pruned to eliminate duplicates Z: 77 54.703 2.270 0.939 0.481 0.882 0.671 CB 1.649 77 residues pruned to eliminate duplicates Z: 10 11.923 2.193 0.796 0.414 0.778 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 8 11.953 2.201 0.929 0.416 0.714 0.714 CB 1.627 8 residues pruned to eliminate duplicates Z: 18 25.168 2.191 1.073 0.404 0.882 0.529 CB 1.685 18 residues pruned to eliminate duplicates Z: 45 40.038 2.191 0.731 0.549 0.909 0.773 CB 1.668 45 residues pruned to eliminate duplicates Z: 17 17.810 2.228 0.761 0.435 0.750 0.688 CB 1.618 17 residues pruned to eliminate duplicates Z: 12 15.607 1.788 0.281 0.902 1.000 0.909 CA 1.465 12 residues pruned to eliminate duplicates Z: 10 6.383 1.794 0.603 0.284 0.667 0.222 CA 1.415 10 residues pruned to eliminate duplicates Z: 14 20.628 2.020 0.423 0.808 0.923 0.846 CB 1.649 14 residues pruned to eliminate duplicates Z: 10 17.325 2.034 0.607 0.804 0.889 0.667 CA 1.524 10 residues pruned to eliminate duplicates Z: 6 8.129 1.848 0.245 0.665 1.000 1.000 CA 1.357 6 residues pruned to eliminate duplicates Z: 28 19.550 2.152 0.753 0.315 0.852 0.556 CB 1.437 28 residues pruned to eliminate duplicates Z: 62 45.202 2.312 0.868 0.418 0.885 0.639 CB 1.649 62 residues pruned to eliminate duplicates Z: 6 6.275 1.604 0.319 0.781 1.000 0.600 CA 1.036 6 residues pruned to eliminate duplicates Z: 6 14.418 2.265 1.257 0.678 0.800 0.800 CA 1.338 6 residues pruned to eliminate duplicates Z: 9 6.350 1.756 0.412 0.455 0.875 0.625 CB 1.084 9 residues pruned to eliminate duplicates Z: 10 9.847 1.966 0.887 0.306 0.778 0.444 CB 1.411 10 residues pruned to eliminate duplicates Z: 68 52.088 2.398 0.827 0.448 0.881 0.552 CB 1.740 68 residues pruned to eliminate duplicates Z: 6 5.369 1.683 0.801 0.572 0.600 0.200 C 1.232 6 residues pruned to eliminate duplicates Z: 90 56.722 2.367 0.876 0.431 0.888 0.596 CB 1.639 90 residues pruned to eliminate duplicates Z: 70 48.374 2.289 0.953 0.416 0.870 0.638 CB 1.636 70 residues pruned to eliminate duplicates Z: 17 23.266 2.221 0.271 0.752 0.938 0.875 CB 1.755 17 residues pruned to eliminate duplicates Z: 6 3.202 1.451 0.645 0.721 1.000 0.800 N 0.491 Z: 10 26.787 2.340 1.359 0.641 1.000 0.556 CB 1.417 10 residues pruned to eliminate duplicates Z: 8 18.627 2.340 0.918 0.670 0.857 0.571 CB 1.565 8 residues pruned to eliminate duplicates Z: 11 18.063 1.747 0.790 0.872 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 60 46.080 2.301 0.894 0.442 0.881 0.644 CB 1.658 60 residues pruned to eliminate duplicates Z: 17 18.009 2.087 0.623 0.402 0.938 0.500 CA 1.573 17 residues pruned to eliminate duplicates Z: 32 38.102 2.255 0.892 0.606 0.871 0.581 CB 1.665 32 residues pruned to eliminate duplicates Z: 13 33.696 2.340 0.840 0.919 1.000 0.833 CB 1.593 14 residues pruned to eliminate duplicates Z: 45 53.414 2.365 0.982 0.574 0.909 0.568 CB 1.760 45 residues pruned to eliminate duplicates Z: 11 18.659 1.927 0.622 0.922 1.000 0.900 CB 1.328 11 residues pruned to eliminate duplicates Z: 12 18.168 1.813 0.561 0.914 1.000 0.909 CB 1.370 12 residues pruned to eliminate duplicates Z: 19 32.810 2.382 0.738 0.687 1.000 0.667 CB 1.574 19 residues pruned to eliminate duplicates Z: 13 18.313 1.722 0.617 0.888 1.000 0.750 CA 1.368 13 residues pruned to eliminate duplicates Z: 6 6.336 1.727 0.208 0.756 1.000 0.800 CA 1.081 6 residues pruned to eliminate duplicates Z: 21 29.425 2.375 1.094 0.382 0.850 0.500 CB 1.764 21 residues pruned to eliminate duplicates Z: 12 15.094 2.034 0.701 0.507 0.909 0.455 CB 1.437 12 residues pruned to eliminate duplicates Z: 66 37.529 2.230 0.827 0.363 0.846 0.615 CB 1.565 66 residues pruned to eliminate duplicates Z: 12 18.914 1.791 0.549 0.914 1.000 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 16 43.165 2.399 0.961 0.941 0.867 0.600 CB 1.898 16 residues pruned to eliminate duplicates 6 1.746 1.477 0.016 0.296 1.000 0.400 N 0.654 ? Z: 16 31.530 2.369 0.612 0.895 0.867 0.800 CB 1.763 16 residues pruned to eliminate duplicates Z: 18 20.857 2.239 0.730 0.466 0.824 0.471 CA 1.642 18 residues pruned to eliminate duplicates Z: 44 43.578 2.363 0.726 0.503 0.930 0.558 CB 1.746 44 residues pruned to eliminate duplicates Z: 6 4.408 1.517 0.164 0.317 1.000 0.400 CA 1.367 4 residues pruned to eliminate duplicates Z: 41 45.703 2.470 0.888 0.463 0.925 0.725 CB 1.739 41 residues pruned to eliminate duplicates Z: 23 16.689 2.329 0.628 0.222 0.773 0.545 CB 1.683 23 residues pruned to eliminate duplicates Z: 49 40.723 2.293 0.816 0.445 0.896 0.604 CB 1.668 49 residues pruned to eliminate duplicates Z: 19 26.734 2.232 1.020 0.507 0.889 0.722 CB 1.561 19 residues pruned to eliminate duplicates Z: 16 43.967 2.309 0.826 0.930 1.000 0.533 CB 1.883 16 residues pruned to eliminate duplicates Z: 29 48.327 2.354 1.011 0.644 1.000 0.679 CB 1.687 29 residues pruned to eliminate duplicates 6 1.348 1.694 -0.457 0.268 1.000 0.200 CB 0.853 ? Z: 28 38.415 2.392 0.745 0.634 0.963 0.815 CB 1.622 28 residues pruned to eliminate duplicates Z: 18 36.253 2.122 0.964 0.808 1.000 0.765 CB 1.613 18 residues pruned to eliminate duplicates Z: 11 15.992 1.860 0.683 0.777 0.800 0.700 CA 1.583 11 residues pruned to eliminate duplicates Z: 6 3.568 1.589 0.317 0.300 0.800 0.600 CB 1.192 Z: 9 13.055 1.829 0.244 0.908 1.000 1.000 CB 1.441 9 residues pruned to eliminate duplicates Z: 15 37.018 2.131 1.002 0.884 1.000 0.643 CB 1.675 14 residues pruned to eliminate duplicates Z: 10 19.085 2.109 0.519 0.907 1.000 1.000 CA 1.412 10 residues pruned to eliminate duplicates Z: 72 62.739 2.459 0.824 0.540 0.915 0.648 CB 1.744 72 residues pruned to eliminate duplicates Z: 24 23.766 2.187 0.682 0.401 0.870 0.609 CB 1.719 24 residues pruned to eliminate duplicates Z: 8 10.170 1.800 0.925 0.624 0.857 0.857 CB 1.151 8 residues pruned to eliminate duplicates Z: 50 45.940 2.251 0.729 0.619 0.918 0.633 CB 1.641 50 residues pruned to eliminate duplicates Z: 13 33.818 2.358 0.711 0.940 1.000 0.833 CB 1.681 13 residues pruned to eliminate duplicates Z: 43 39.130 2.264 0.848 0.511 0.857 0.524 CB 1.664 28 residues pruned to eliminate duplicates Z: 50 34.607 2.246 0.757 0.411 0.816 0.612 CB 1.684 50 residues pruned to eliminate duplicates Z: 8 13.007 2.149 0.754 0.588 0.857 0.714 CA 1.398 8 residues pruned to eliminate duplicates Z: 13 15.947 1.657 0.596 0.912 1.000 0.833 CB 1.232 13 residues pruned to eliminate duplicates Z: 22 32.706 2.267 1.064 0.537 0.905 0.762 CB 1.626 22 residues pruned to eliminate duplicates Z: 11 7.898 1.988 0.138 0.386 0.900 0.700 CA 1.385 11 residues pruned to eliminate duplicates Z: 76 65.274 2.484 0.892 0.508 0.893 0.640 CB 1.780 77 residues pruned to eliminate duplicates Z: 7 12.561 2.015 0.979 0.714 0.833 0.833 CB 1.272 7 residues pruned to eliminate duplicates Z: 51 42.900 2.300 0.994 0.451 0.840 0.640 CB 1.656 51 residues pruned to eliminate duplicates Z: 12 6.154 1.797 0.384 0.254 0.727 0.545 CB 1.360 12 residues pruned to eliminate duplicates Z: 10 16.026 1.915 0.370 0.896 1.000 0.889 CB 1.459 10 residues pruned to eliminate duplicates Z: 17 45.276 2.428 1.130 0.756 0.875 0.750 CB 1.992 17 residues pruned to eliminate duplicates Z: 8 26.065 2.397 1.451 0.605 0.857 0.857 CA 1.770 8 residues pruned to eliminate duplicates Z: 7 4.429 1.563 0.439 0.416 0.833 0.500 C 1.054 7 residues pruned to eliminate duplicates Z: 16 16.404 2.235 0.636 0.394 0.800 0.667 CB 1.620 16 residues pruned to eliminate duplicates Z: 48 65.184 2.493 1.138 0.573 0.894 0.723 CB 1.860 48 residues pruned to eliminate duplicates Z: 103 58.466 2.232 0.927 0.448 0.873 0.588 CB 1.627 103 residues pruned to eliminate duplicates Z: 14 49.558 2.468 1.085 0.940 1.000 0.769 CB 1.855 14 residues pruned to eliminate duplicates Z: 12 13.259 1.770 0.182 0.915 1.000 0.909 CB 1.351 12 residues pruned to eliminate duplicates Z: 11 19.242 1.949 0.680 0.900 1.000 0.800 CB 1.327 11 residues pruned to eliminate duplicates Z: 54 46.289 2.386 0.962 0.440 0.849 0.509 CB 1.701 54 residues pruned to eliminate duplicates Z: 14 18.991 2.040 0.254 0.810 1.000 0.923 CB 1.571 14 residues pruned to eliminate duplicates Z: 45 54.074 2.468 1.018 0.510 0.864 0.659 CB 1.877 45 residues pruned to eliminate duplicates Z: 9 19.559 2.049 0.855 0.724 1.000 0.500 CA 1.487 9 residues pruned to eliminate duplicates Z: 15 26.819 2.200 0.751 0.866 0.929 0.786 CB 1.466 18 residues pruned to eliminate duplicates Z: 6 8.779 1.521 0.824 0.711 1.000 0.600 CB 1.169 6 residues pruned to eliminate duplicates Z: 14 24.795 2.175 0.689 0.862 1.000 0.769 CB 1.375 Z: 43 26.759 2.226 0.636 0.333 0.833 0.619 CB 1.633 43 residues pruned to eliminate duplicates Z: 15 26.561 2.047 0.938 0.896 1.000 0.714 CB 1.282 15 residues pruned to eliminate duplicates Z: 6 2.248 1.586 0.371 0.299 0.600 0.400 C 0.965 6 residues pruned to eliminate duplicates Z: 6 17.689 2.256 0.776 0.789 1.000 1.000 CA 1.532 6 residues pruned to eliminate duplicates Z: 138 77.383 2.385 0.839 0.471 0.920 0.606 CB 1.688 152 residues pruned to eliminate duplicates Z: 15 21.098 2.140 0.762 0.527 0.857 0.714 CA 1.699 17 residues pruned to eliminate duplicates Z: 35 43.168 2.412 0.772 0.576 0.912 0.500 CB 1.767 35 residues pruned to eliminate duplicates Z: 12 12.055 2.019 0.288 0.563 1.000 0.636 CA 1.315 12 residues pruned to eliminate duplicates Z: 52 38.083 2.240 0.863 0.396 0.882 0.647 CB 1.616 52 residues pruned to eliminate duplicates Z: 14 27.529 2.496 1.279 0.426 0.846 0.615 CB 1.713 14 residues pruned to eliminate duplicates Z: 12 15.969 1.791 0.632 0.886 0.909 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 11 20.140 2.118 0.473 0.810 1.000 0.800 CA 1.558 11 residues pruned to eliminate duplicates Z: 69 58.342 2.406 0.946 0.473 0.897 0.647 CB 1.731 69 residues pruned to eliminate duplicates Z: 6 8.201 1.877 0.473 0.719 0.800 0.600 CA 1.360 6 residues pruned to eliminate duplicates Z: 41 29.252 2.200 0.686 0.389 0.900 0.575 CB 1.558 41 residues pruned to eliminate duplicates Z: 15 31.984 2.135 0.679 0.922 1.000 0.929 CB 1.677 Z: 11 19.325 1.951 0.594 0.906 1.000 0.900 CB 1.398 11 residues pruned to eliminate duplicates Z: 14 33.481 2.104 0.833 0.884 1.000 0.769 CA 1.739 14 residues pruned to eliminate duplicates Z: 7 21.259 2.496 0.617 0.695 1.000 0.500 CA 1.800 7 residues pruned to eliminate duplicates Z: 17 8.311 2.006 0.149 0.258 0.875 0.375 CB 1.359 17 residues pruned to eliminate duplicates Z: 18 21.820 2.192 0.583 0.543 0.882 0.765 CB 1.658 19 residues pruned to eliminate duplicates Z: 7 8.812 1.681 0.368 0.624 1.000 0.333 CA 1.391 7 residues pruned to eliminate duplicates Z: 6 3.645 1.545 0.765 0.467 0.600 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 93 74.203 2.403 1.096 0.491 0.902 0.685 CB 1.717 93 residues pruned to eliminate duplicates Z: 10 27.517 2.192 0.836 0.846 1.000 0.667 CB 1.693 10 residues pruned to eliminate duplicates Z: 8 4.353 1.774 0.539 0.387 0.571 0.429 C 1.188 Z: 10 26.028 2.297 1.043 0.710 1.000 0.889 CB 1.528 18 residues pruned to eliminate duplicates Z: 11 20.554 1.890 0.870 0.911 1.000 0.700 CB 1.303 11 residues pruned to eliminate duplicates Z: 58 49.040 2.427 0.864 0.442 0.912 0.544 CB 1.671 58 residues pruned to eliminate duplicates Z: 16 23.009 2.083 0.360 0.921 0.933 0.867 CB 1.582 16 residues pruned to eliminate duplicates Z: 42 35.000 2.308 0.824 0.448 0.878 0.683 CB 1.559 42 residues pruned to eliminate duplicates Z: 15 40.238 2.133 1.179 0.881 1.000 0.714 CB 1.676 14 residues pruned to eliminate duplicates Z: 14 22.110 2.218 0.319 0.891 1.000 0.923 CB 1.507 14 residues pruned to eliminate duplicates Z: 8 11.381 2.052 0.749 0.649 0.857 0.857 CB 1.217 8 residues pruned to eliminate duplicates Z: 21 38.660 2.347 0.670 0.665 1.000 0.850 CA 1.893 21 residues pruned to eliminate duplicates Z: 6 11.323 2.307 0.352 0.638 0.800 0.400 CA 1.784 6 residues pruned to eliminate duplicates Z: 15 19.246 2.202 0.815 0.446 0.857 0.857 CB 1.587 15 residues pruned to eliminate duplicates Z: 8 16.058 2.054 0.623 0.579 1.000 0.714 CA 1.687 8 residues pruned to eliminate duplicates Z: 49 56.534 2.373 1.063 0.606 0.917 0.708 CB 1.645 49 residues pruned to eliminate duplicates Z: 51 41.616 2.319 0.862 0.394 0.900 0.640 CB 1.694 51 residues pruned to eliminate duplicates Z: 40 49.634 2.364 1.002 0.547 0.949 0.513 CB 1.691 40 residues pruned to eliminate duplicates Z: 63 47.272 2.293 0.884 0.430 0.919 0.661 CB 1.626 63 residues pruned to eliminate duplicates Z: 15 18.435 2.319 0.758 0.322 0.857 0.714 CB 1.715 15 residues pruned to eliminate duplicates Z: 8 13.849 1.793 0.601 0.692 1.000 0.429 CB 1.530 8 residues pruned to eliminate duplicates Z: 15 22.224 2.199 0.995 0.473 0.857 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 22 23.126 2.170 1.093 0.423 0.762 0.571 CB 1.580 22 residues pruned to eliminate duplicates Z: 52 29.677 2.220 0.797 0.349 0.843 0.588 CB 1.455 52 residues pruned to eliminate duplicates Z: 17 26.453 2.183 0.395 0.786 1.000 0.875 CB 1.689 17 residues pruned to eliminate duplicates Z: 23 18.979 2.137 0.490 0.347 0.864 0.591 CA 1.738 23 residues pruned to eliminate duplicates Z: 10 8.550 1.859 0.769 0.241 0.778 0.444 CB 1.505 10 residues pruned to eliminate duplicates Z: 22 19.584 2.245 0.766 0.352 0.762 0.524 CB 1.661 22 residues pruned to eliminate duplicates Z: 48 41.121 2.351 0.654 0.500 0.894 0.468 CB 1.727 48 residues pruned to eliminate duplicates Z: 15 7.247 1.798 0.624 0.193 0.714 0.571 CB 1.340 15 residues pruned to eliminate duplicates Z: 29 29.654 2.173 0.900 0.480 0.964 0.536 CB 1.436 29 residues pruned to eliminate duplicates Z: 11 6.871 2.258 0.435 0.184 0.700 0.300 CB 1.402 11 residues pruned to eliminate duplicates Z: 11 11.408 2.036 0.408 0.401 0.900 0.900 CB 1.552 11 residues pruned to eliminate duplicates Z: 15 29.467 2.062 0.843 0.904 1.000 0.786 CB 1.476 15 residues pruned to eliminate duplicates Z: 27 28.024 2.440 0.753 0.355 0.846 0.385 CB 1.776 27 residues pruned to eliminate duplicates Z: 6 5.291 1.692 0.177 0.566 1.000 0.800 CB 1.115 6 residues pruned to eliminate duplicates Z: 20 32.507 2.323 0.449 0.711 1.000 0.947 CB 1.830 14 residues pruned to eliminate duplicates Z: 42 42.053 2.407 0.956 0.437 0.854 0.488 CB 1.743 42 residues pruned to eliminate duplicates Z: 48 38.506 2.248 0.641 0.471 0.936 0.638 CB 1.674 48 residues pruned to eliminate duplicates Z: 22 20.664 2.157 1.000 0.298 0.810 0.619 CB 1.619 22 residues pruned to eliminate duplicates Z: 13 34.309 2.326 0.822 0.949 1.000 0.833 CB 1.614 13 residues pruned to eliminate duplicates Z: 50 42.248 2.299 0.867 0.420 0.918 0.673 CB 1.664 50 residues pruned to eliminate duplicates Z: 19 20.532 2.225 1.056 0.347 0.833 0.722 CB 1.498 19 residues pruned to eliminate duplicates Z: 19 13.026 1.733 0.879 0.361 0.833 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 6 4.472 1.467 0.380 0.756 0.800 0.400 O 0.983 6 residues pruned to eliminate duplicates Z: 8 6.848 1.555 0.581 0.485 0.857 0.429 O 1.247 8 residues pruned to eliminate duplicates Z: 23 24.174 2.360 0.759 0.344 0.864 0.500 CB 1.704 23 residues pruned to eliminate duplicates Z: 33 41.636 2.402 0.694 0.632 0.875 0.594 CB 1.827 33 residues pruned to eliminate duplicates Z: 17 19.144 2.033 1.259 0.361 0.875 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 11 21.318 2.246 0.962 0.579 0.900 0.800 CB 1.576 11 residues pruned to eliminate duplicates Z: 94 49.537 2.200 0.884 0.426 0.839 0.602 CB 1.595 94 residues pruned to eliminate duplicates Z: 9 20.334 2.146 0.412 0.911 1.000 0.875 CA 1.681 9 residues pruned to eliminate duplicates Z: 62 43.935 2.321 0.800 0.451 0.869 0.508 CB 1.630 62 residues pruned to eliminate duplicates Z: 43 32.866 2.120 0.788 0.552 0.833 0.714 CB 1.527 43 residues pruned to eliminate duplicates Z: 63 57.927 2.471 0.944 0.468 0.903 0.581 CB 1.751 63 residues pruned to eliminate duplicates Z: 20 33.858 2.376 0.536 0.713 1.000 0.895 CB 1.755 20 residues pruned to eliminate duplicates Z: 72 45.590 2.362 0.919 0.347 0.845 0.577 CB 1.669 72 residues pruned to eliminate duplicates Z: 12 35.365 2.498 0.958 0.722 0.909 0.818 CB 1.963 12 residues pruned to eliminate duplicates Z: 13 39.747 2.391 1.280 0.750 0.917 0.750 CB 1.836 13 residues pruned to eliminate duplicates Z: 15 25.794 2.152 0.295 0.941 1.000 1.000 CB 1.717 15 residues pruned to eliminate duplicates Z: 28 30.487 2.323 0.580 0.542 0.963 0.741 CB 1.593 48 residues pruned to eliminate duplicates Z: 6 5.666 1.634 0.093 0.693 1.000 0.600 CB 1.190 6 residues pruned to eliminate duplicates Z: 24 17.765 1.979 0.671 0.367 0.870 0.652 CB 1.486 24 residues pruned to eliminate duplicates Z: 16 25.748 2.242 0.971 0.506 0.867 0.667 CA 1.726 18 residues pruned to eliminate duplicates Z: 16 12.364 2.035 0.493 0.340 0.800 0.600 CB 1.563 16 residues pruned to eliminate duplicates Z: 29 53.833 2.438 1.026 0.663 1.000 0.607 CB 1.771 29 residues pruned to eliminate duplicates Z: 6 10.014 1.975 0.484 0.719 1.000 0.800 CA 1.254 Z: 14 24.009 2.116 1.180 0.436 1.000 0.692 CB 1.541 14 residues pruned to eliminate duplicates Z: 73 54.339 2.315 0.987 0.419 0.889 0.625 CB 1.705 73 residues pruned to eliminate duplicates Z: 8 8.232 1.709 0.480 0.609 1.000 0.857 CB 1.109 6 residues pruned to eliminate duplicates Z: 8 2.808 1.610 0.148 0.459 0.857 0.571 CB 0.698 Z: 38 40.357 2.323 0.924 0.494 0.919 0.649 CB 1.625 38 residues pruned to eliminate duplicates 6 1.274 1.555 0.442 0.292 0.600 0.600 CB 0.534 ? Z: 48 55.347 2.439 0.899 0.528 0.915 0.511 CB 1.853 48 residues pruned to eliminate duplicates Z: 15 8.613 1.940 0.410 0.320 0.786 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 22 19.695 2.074 0.838 0.359 1.000 0.810 CB 1.312 22 residues pruned to eliminate duplicates Z: 11 9.016 1.950 0.354 0.457 0.900 0.400 CB 1.254 11 residues pruned to eliminate duplicates Z: 9 16.668 2.167 1.270 0.354 0.875 0.375 CB 1.603 9 residues pruned to eliminate duplicates Z: 6 11.475 2.191 0.501 0.544 1.000 0.600 CA 1.495 6 residues pruned to eliminate duplicates Z: 7 7.727 1.706 0.706 0.746 1.000 1.000 CA 0.870 7 residues pruned to eliminate duplicates Z: 15 25.807 2.422 0.753 0.434 0.929 0.429 CB 1.873 15 residues pruned to eliminate duplicates Z: 51 57.168 2.461 0.861 0.549 0.980 0.660 CB 1.718 51 residues pruned to eliminate duplicates Z: 72 53.225 2.227 1.004 0.534 0.915 0.648 CB 1.495 72 residues pruned to eliminate duplicates Z: 21 33.834 2.317 0.948 0.543 0.950 0.500 CB 1.692 21 residues pruned to eliminate duplicates Z: 11 10.742 1.996 0.894 0.415 0.800 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 36 37.785 2.317 0.746 0.502 0.914 0.543 CB 1.724 36 residues pruned to eliminate duplicates Z: 12 13.104 1.732 0.463 0.704 1.000 0.727 CA 1.296 12 residues pruned to eliminate duplicates Z: 11 20.739 1.925 0.826 0.938 1.000 0.800 CB 1.298 11 residues pruned to eliminate duplicates Z: 15 22.529 2.085 1.193 0.319 1.000 0.643 CA 1.609 15 residues pruned to eliminate duplicates Z: 8 5.827 1.551 0.387 0.470 1.000 1.000 CA 1.056 8 residues pruned to eliminate duplicates Z: 39 44.842 2.493 0.981 0.443 0.868 0.526 CB 1.798 39 residues pruned to eliminate duplicates Z: 47 47.433 2.446 0.981 0.521 0.848 0.543 CB 1.668 47 residues pruned to eliminate duplicates Z: 11 8.581 2.089 0.439 0.256 0.700 0.500 C 1.705 11 residues pruned to eliminate duplicates Z: 13 16.401 2.143 0.536 0.603 0.917 0.500 CB 1.422 13 residues pruned to eliminate duplicates Z: 12 22.109 2.181 1.020 0.578 0.909 0.818 CB 1.544 12 residues pruned to eliminate duplicates Z: 75 59.742 2.362 1.065 0.468 0.878 0.676 CB 1.674 75 residues pruned to eliminate duplicates Z: 42 47.643 2.438 0.683 0.590 0.976 0.756 CB 1.705 42 residues pruned to eliminate duplicates Z: 7 4.306 1.755 0.041 0.647 0.833 0.833 CB 1.006 7 residues pruned to eliminate duplicates Z: 50 42.241 2.275 0.907 0.435 0.939 0.694 CB 1.585 50 residues pruned to eliminate duplicates Z: 10 6.176 1.870 0.488 0.334 1.000 0.556 CB 0.887 10 residues pruned to eliminate duplicates Z: 6 9.547 1.810 0.740 0.641 1.000 0.600 CA 1.189 Z: 45 47.268 2.338 0.897 0.460 0.955 0.682 CB 1.753 45 residues pruned to eliminate duplicates Z: 11 20.261 2.239 1.334 0.416 0.900 0.700 CB 1.487 11 residues pruned to eliminate duplicates Z: 9 10.325 1.837 0.545 0.503 0.875 0.500 CA 1.465 9 residues pruned to eliminate duplicates Z: 15 15.162 2.167 0.887 0.257 0.786 0.571 CB 1.666 15 residues pruned to eliminate duplicates Z: 13 7.801 2.012 0.288 0.273 0.833 0.417 CB 1.349 13 residues pruned to eliminate duplicates Z: 23 21.567 2.408 1.061 0.238 0.909 0.682 CB 1.382 23 residues pruned to eliminate duplicates Z: 16 22.131 2.351 0.840 0.363 0.867 0.733 CB 1.767 16 residues pruned to eliminate duplicates Z: 17 19.254 1.985 0.376 0.741 0.938 0.875 CA 1.515 17 residues pruned to eliminate duplicates Z: 11 10.405 1.793 0.503 0.418 1.000 0.600 CA 1.330 11 residues pruned to eliminate duplicates Z: 65 35.277 2.207 0.805 0.364 0.844 0.547 CB 1.518 65 residues pruned to eliminate duplicates Z: 91 54.331 2.358 0.872 0.401 0.856 0.600 CB 1.684 91 residues pruned to eliminate duplicates Z: 70 63.066 2.385 1.019 0.491 0.899 0.652 CB 1.771 70 residues pruned to eliminate duplicates Z: 15 20.881 1.974 0.526 0.768 1.000 0.857 CA 1.462 15 residues pruned to eliminate duplicates Z: 17 10.801 1.968 0.798 0.426 0.750 0.438 CB 1.098 17 residues pruned to eliminate duplicates Z: 26 39.450 2.280 0.909 0.641 1.000 0.440 CB 1.589 26 residues pruned to eliminate duplicates 7 1.980 1.327 -0.203 0.538 0.833 0.667 CB 0.884 ? 6 1.005 1.159 -0.130 0.483 0.800 0.600 CB 0.567 ? Z: 16 21.378 2.122 0.852 0.514 0.867 0.733 CA 1.599 16 residues pruned to eliminate duplicates Z: 56 47.884 2.444 0.907 0.433 0.873 0.436 CB 1.701 56 residues pruned to eliminate duplicates Z: 9 18.630 2.148 0.977 0.856 0.750 0.625 CB 1.525 9 residues pruned to eliminate duplicates Z: 71 53.611 2.439 0.893 0.440 0.871 0.600 CB 1.693 71 residues pruned to eliminate duplicates Z: 59 26.740 2.036 0.610 0.343 0.879 0.534 CB 1.444 59 residues pruned to eliminate duplicates Z: 13 47.003 2.324 1.230 0.936 1.000 0.667 CB 1.823 13 residues pruned to eliminate duplicates Z: 28 33.446 2.192 0.889 0.586 0.926 0.556 CB 1.546 34 residues pruned to eliminate duplicates Z: 7 8.884 1.849 0.181 0.684 1.000 0.833 CA 1.403 7 residues pruned to eliminate duplicates Z: 89 49.439 2.259 0.873 0.439 0.841 0.591 CB 1.578 89 residues pruned to eliminate duplicates Z: 46 36.314 2.211 0.947 0.442 0.867 0.556 CB 1.541 46 residues pruned to eliminate duplicates Z: 9 9.714 1.787 0.604 0.512 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 17.050 2.037 0.640 0.407 0.824 0.471 CA 1.656 18 residues pruned to eliminate duplicates Z: 19 16.037 2.066 0.518 0.436 0.833 0.611 CA 1.545 19 residues pruned to eliminate duplicates Z: 15 22.294 2.237 0.866 0.447 0.857 0.714 CA 1.757 15 residues pruned to eliminate duplicates Z: 17 18.144 2.199 0.631 0.382 0.812 0.688 CA 1.765 17 residues pruned to eliminate duplicates Z: 37 30.661 2.184 0.770 0.483 0.833 0.694 CB 1.614 37 residues pruned to eliminate duplicates Z: 16 17.180 2.121 0.739 0.377 0.867 0.733 CA 1.583 16 residues pruned to eliminate duplicates Z: 19 13.666 1.930 0.536 0.380 0.833 0.556 CB 1.482 19 residues pruned to eliminate duplicates Z: 23 16.505 1.928 0.553 0.425 0.864 0.545 CA 1.471 23 residues pruned to eliminate duplicates Z: 16 17.888 2.169 0.740 0.400 0.867 0.600 CA 1.570 16 residues pruned to eliminate duplicates Z: 19 17.201 2.055 0.615 0.348 0.889 0.722 CA 1.620 19 residues pruned to eliminate duplicates Z: 16 17.763 2.153 0.641 0.358 0.867 0.733 CA 1.746 16 residues pruned to eliminate duplicates Z: 23 21.343 2.135 0.747 0.356 0.818 0.591 CA 1.742 19 residues pruned to eliminate duplicates Z: 6 6.574 1.851 0.691 0.262 0.800 0.400 C 1.541 6 residues pruned to eliminate duplicates Z: 80 54.459 2.246 0.818 0.485 0.924 0.658 CB 1.649 80 residues pruned to eliminate duplicates Z: 35 31.288 2.147 0.957 0.381 0.882 0.618 CB 1.643 35 residues pruned to eliminate duplicates Z: 17 35.830 2.406 1.268 0.539 0.938 0.812 CB 1.686 17 residues pruned to eliminate duplicates Z: 10 23.900 2.239 1.085 0.702 1.000 1.000 CB 1.420 10 residues pruned to eliminate duplicates Z: 32 42.528 2.217 0.983 0.624 1.000 0.806 CB 1.546 32 residues pruned to eliminate duplicates Z: 30 43.426 2.217 0.887 0.677 1.000 0.828 CB 1.638 30 residues pruned to eliminate duplicates Z: 30 36.422 2.202 0.760 0.620 0.931 0.793 CB 1.673 30 residues pruned to eliminate duplicates Z: 20 27.619 2.241 0.989 0.457 0.895 0.579 CB 1.661 20 residues pruned to eliminate duplicates Z: 32 32.196 2.126 0.777 0.627 0.871 0.774 CB 1.559 32 residues pruned to eliminate duplicates Z: 59 46.326 2.261 0.826 0.515 0.897 0.621 CB 1.620 59 residues pruned to eliminate duplicates Z: 22 33.342 2.156 0.781 0.692 0.952 0.762 CB 1.670 22 residues pruned to eliminate duplicates Z: 9 17.481 2.307 1.060 0.492 0.750 0.750 CB 1.749 9 residues pruned to eliminate duplicates Z: 23 31.941 2.126 0.823 0.685 0.909 0.818 CB 1.630 23 residues pruned to eliminate duplicates Z: 44 41.940 2.217 0.873 0.539 0.884 0.744 CB 1.677 44 residues pruned to eliminate duplicates Z: 24 19.899 1.958 0.618 0.597 0.826 0.696 CB 1.445 24 residues pruned to eliminate duplicates Z: 31 36.087 2.195 0.919 0.600 0.900 0.700 CB 1.580 31 residues pruned to eliminate duplicates Z: 90 51.063 2.283 0.710 0.482 0.865 0.573 CB 1.632 90 residues pruned to eliminate duplicates Z: 29 25.574 2.022 0.850 0.554 0.786 0.643 CB 1.560 29 residues pruned to eliminate duplicates Z: 16 27.097 2.077 0.596 0.785 1.000 0.800 CB 1.643 16 residues pruned to eliminate duplicates Z: 13 22.805 2.031 0.583 0.809 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 18 29.141 2.192 1.086 0.551 0.882 0.647 CB 1.667 18 residues pruned to eliminate duplicates Z: 14 15.129 1.931 0.798 0.539 0.846 0.538 CB 1.375 14 residues pruned to eliminate duplicates Z: 20 21.871 2.071 0.892 0.463 0.895 0.632 CB 1.486 20 residues pruned to eliminate duplicates Z: 78 42.951 2.235 0.818 0.407 0.857 0.597 CB 1.550 78 residues pruned to eliminate duplicates Z: 79 49.718 2.234 0.744 0.491 0.885 0.603 CB 1.648 79 residues pruned to eliminate duplicates Z: 62 41.403 2.302 0.728 0.402 0.902 0.557 CB 1.639 62 residues pruned to eliminate duplicates Z: 52 34.882 2.252 0.671 0.427 0.882 0.569 CB 1.587 52 residues pruned to eliminate duplicates Z: 20 13.042 1.956 0.684 0.333 0.737 0.263 CB 1.480 20 residues pruned to eliminate duplicates Z: 69 44.175 2.293 0.842 0.388 0.868 0.544 CB 1.647 69 residues pruned to eliminate duplicates Z: 68 40.242 2.241 0.809 0.399 0.881 0.522 CB 1.531 68 residues pruned to eliminate duplicates Z: 85 44.035 2.231 0.838 0.369 0.869 0.536 CB 1.552 85 residues pruned to eliminate duplicates Z: 53 45.929 2.265 0.947 0.544 0.904 0.635 CB 1.531 53 residues pruned to eliminate duplicates Z: 68 39.126 2.292 0.767 0.394 0.836 0.627 CB 1.579 68 residues pruned to eliminate duplicates Z: 62 42.488 2.290 0.837 0.398 0.869 0.607 CB 1.657 62 residues pruned to eliminate duplicates Z: 90 52.921 2.318 0.803 0.397 0.921 0.607 CB 1.624 90 residues pruned to eliminate duplicates Z: 63 47.029 2.303 0.836 0.434 0.903 0.629 CB 1.674 63 residues pruned to eliminate duplicates Z: 77 51.053 2.263 0.923 0.460 0.855 0.539 CB 1.640 77 residues pruned to eliminate duplicates Z: 105 58.596 2.306 0.798 0.437 0.904 0.663 CB 1.636 105 residues pruned to eliminate duplicates Z: 60 46.518 2.288 0.902 0.440 0.898 0.644 CB 1.647 60 residues pruned to eliminate duplicates Z: 89 50.623 2.243 0.750 0.447 0.898 0.614 CB 1.617 89 residues pruned to eliminate duplicates Z: 74 45.517 2.281 0.858 0.395 0.877 0.603 CB 1.602 74 residues pruned to eliminate duplicates Z: 56 37.914 2.253 0.787 0.391 0.891 0.582 CB 1.599 56 residues pruned to eliminate duplicates Z: 54 42.457 2.314 0.925 0.387 0.887 0.566 CB 1.664 54 residues pruned to eliminate duplicates Z: 55 39.063 2.261 0.853 0.403 0.889 0.611 CB 1.580 55 residues pruned to eliminate duplicates Z: 77 54.105 2.271 0.976 0.464 0.895 0.671 CB 1.603 77 residues pruned to eliminate duplicates Z: 89 52.394 2.263 0.925 0.440 0.864 0.659 CB 1.580 89 residues pruned to eliminate duplicates Z: 83 43.724 2.232 0.820 0.386 0.866 0.561 CB 1.550 83 residues pruned to eliminate duplicates Z: 62 49.212 2.343 0.976 0.424 0.885 0.656 CB 1.665 62 residues pruned to eliminate duplicates Z: 83 56.840 2.261 0.974 0.449 0.915 0.646 CB 1.620 83 residues pruned to eliminate duplicates Z: 73 46.089 2.311 0.877 0.412 0.875 0.625 CB 1.569 73 residues pruned to eliminate duplicates Z: 141 75.106 2.376 0.816 0.452 0.929 0.629 CB 1.663 147 residues pruned to eliminate duplicates Z: 83 46.420 2.252 0.884 0.382 0.878 0.549 CB 1.560 83 residues pruned to eliminate duplicates Z: 70 43.785 2.272 0.906 0.374 0.884 0.609 CB 1.575 70 residues pruned to eliminate duplicates Z: 80 49.480 2.238 0.880 0.449 0.886 0.620 CB 1.574 80 residues pruned to eliminate duplicates Z: 70 44.494 2.276 0.899 0.371 0.884 0.594 CB 1.608 70 residues pruned to eliminate duplicates Z: 74 46.133 2.281 0.862 0.397 0.890 0.616 CB 1.592 74 residues pruned to eliminate duplicates Z: 65 48.260 2.276 0.918 0.420 0.906 0.609 CB 1.657 65 residues pruned to eliminate duplicates Z: 50 44.310 2.272 0.901 0.442 0.959 0.714 CB 1.622 50 residues pruned to eliminate duplicates Z: 72 41.338 2.303 0.847 0.367 0.859 0.592 CB 1.548 72 residues pruned to eliminate duplicates Z: 76 46.894 2.271 0.886 0.409 0.893 0.613 CB 1.556 76 residues pruned to eliminate duplicates Z: 79 46.183 2.230 0.745 0.419 0.897 0.603 CB 1.629 79 residues pruned to eliminate duplicates Z: 86 45.052 2.226 0.809 0.385 0.882 0.624 CB 1.554 86 residues pruned to eliminate duplicates Z: 28 23.206 2.107 0.717 0.373 0.889 0.704 CB 1.590 28 residues pruned to eliminate duplicates Z: 80 46.303 2.245 0.845 0.441 0.861 0.608 CB 1.554 80 residues pruned to eliminate duplicates Z: 59 44.260 2.352 0.850 0.412 0.879 0.655 CB 1.665 59 residues pruned to eliminate duplicates Z: 62 42.376 2.293 0.789 0.401 0.902 0.574 CB 1.628 62 residues pruned to eliminate duplicates Z: 61 44.095 2.342 0.848 0.417 0.867 0.567 CB 1.655 61 residues pruned to eliminate duplicates Z: 103 56.874 2.217 0.921 0.448 0.892 0.608 CB 1.564 103 residues pruned to eliminate duplicates Z: 67 45.459 2.320 0.889 0.392 0.894 0.606 CB 1.602 67 residues pruned to eliminate duplicates Z: 60 46.175 2.340 0.889 0.433 0.881 0.576 CB 1.653 60 residues pruned to eliminate duplicates Z: 78 40.695 2.234 0.786 0.376 0.844 0.558 CB 1.571 78 residues pruned to eliminate duplicates Z: 72 44.395 2.257 0.888 0.382 0.887 0.592 CB 1.580 72 residues pruned to eliminate duplicates Z: 67 44.429 2.316 0.856 0.405 0.879 0.636 CB 1.600 67 residues pruned to eliminate duplicates Z: 33 20.560 2.234 0.669 0.305 0.781 0.562 CB 1.551 33 residues pruned to eliminate duplicates Z: 65 49.036 2.298 0.966 0.445 0.891 0.656 CB 1.611 65 residues pruned to eliminate duplicates Z: 87 50.846 2.244 1.001 0.396 0.849 0.628 CB 1.606 87 residues pruned to eliminate duplicates Z: 21 9.663 2.008 0.593 0.243 0.700 0.350 CB 1.300 21 residues pruned to eliminate duplicates Z: 85 52.044 2.241 0.886 0.448 0.893 0.679 CB 1.588 85 residues pruned to eliminate duplicates Z: 68 42.437 2.274 0.851 0.379 0.910 0.552 CB 1.538 68 residues pruned to eliminate duplicates Z: 48 30.719 2.208 0.865 0.334 0.872 0.532 CB 1.496 48 residues pruned to eliminate duplicates Z: 15 18.281 2.260 0.676 0.371 0.857 0.643 CB 1.727 15 residues pruned to eliminate duplicates Z: 111 58.730 2.244 0.931 0.431 0.864 0.591 CB 1.607 111 residues pruned to eliminate duplicates Z: 68 41.558 2.266 0.793 0.351 0.881 0.597 CB 1.668 68 residues pruned to eliminate duplicates Z: 27 24.403 2.290 0.864 0.326 0.769 0.538 CB 1.766 27 residues pruned to eliminate duplicates Z: 78 65.003 2.465 0.853 0.508 0.922 0.597 CB 1.745 78 residues pruned to eliminate duplicates Z: 7 12.374 2.183 0.519 0.640 0.833 0.667 CA 1.604 7 residues pruned to eliminate duplicates Z: 31 31.657 2.344 0.885 0.334 0.833 0.467 CB 1.881 31 residues pruned to eliminate duplicates Z: 51 55.978 2.471 0.951 0.519 0.900 0.540 CB 1.790 51 residues pruned to eliminate duplicates Z: 26 27.562 2.391 1.048 0.330 0.840 0.520 CB 1.615 26 residues pruned to eliminate duplicates Z: 36 39.213 2.401 1.069 0.356 0.857 0.429 CB 1.819 36 residues pruned to eliminate duplicates Z: 78 73.031 2.520 0.908 0.541 0.909 0.636 CB 1.829 49 residues pruned to eliminate duplicates Z: 6 7.146 1.964 1.057 0.297 0.800 0.400 C 1.241 6 residues pruned to eliminate duplicates Z: 82 47.692 2.350 0.791 0.365 0.864 0.531 CB 1.683 88 residues pruned to eliminate duplicates Z: 74 61.500 2.464 0.847 0.518 0.890 0.685 CB 1.745 74 residues pruned to eliminate duplicates Z: 165 80.665 2.353 0.879 0.456 0.884 0.616 CB 1.685 165 residues pruned to eliminate duplicates Z: 27 32.477 2.391 1.029 0.381 0.923 0.577 CB 1.614 27 residues pruned to eliminate duplicates Z: 52 59.973 2.473 0.962 0.495 0.922 0.588 CB 1.888 52 residues pruned to eliminate duplicates Z: 35 30.945 2.289 0.908 0.297 0.824 0.382 CB 1.851 35 residues pruned to eliminate duplicates Z: 16 34.227 2.633 1.061 0.346 0.933 0.467 CA 2.062 16 residues pruned to eliminate duplicates Z: 49 50.142 2.468 0.886 0.491 0.854 0.562 CB 1.837 49 residues pruned to eliminate duplicates Z: 105 71.831 2.382 0.942 0.456 0.904 0.596 CB 1.762 105 residues pruned to eliminate duplicates Z: 66 59.885 2.499 0.860 0.501 0.908 0.631 CB 1.758 66 residues pruned to eliminate duplicates Z: 20 22.453 2.433 0.890 0.308 0.789 0.474 CB 1.755 20 residues pruned to eliminate duplicates Z: 49 44.520 2.438 0.744 0.467 0.833 0.542 CB 1.875 49 residues pruned to eliminate duplicates Z: 52 48.285 2.408 0.842 0.455 0.882 0.490 CB 1.808 52 residues pruned to eliminate duplicates Z: 106 54.726 2.281 0.904 0.408 0.848 0.590 CB 1.598 106 residues pruned to eliminate duplicates Z: 66 60.507 2.472 0.804 0.529 0.938 0.723 CB 1.742 66 residues pruned to eliminate duplicates Z: 78 61.816 2.464 0.918 0.507 0.870 0.649 CB 1.701 78 residues pruned to eliminate duplicates Z: 112 70.564 2.380 0.961 0.440 0.883 0.577 CB 1.729 112 residues pruned to eliminate duplicates Z: 64 55.398 2.425 0.825 0.539 0.921 0.619 CB 1.648 63 residues pruned to eliminate duplicates Z: 7 17.076 2.398 0.382 0.660 1.000 0.333 CA 1.814 7 residues pruned to eliminate duplicates Z: 82 59.834 2.439 0.760 0.503 0.889 0.593 CB 1.737 82 residues pruned to eliminate duplicates Z: 78 69.728 2.489 0.888 0.530 0.922 0.636 CB 1.780 78 residues pruned to eliminate duplicates Z: 45 50.838 2.480 1.010 0.494 0.886 0.545 CB 1.744 45 residues pruned to eliminate duplicates Z: 110 68.467 2.371 0.898 0.452 0.881 0.560 CB 1.739 110 residues pruned to eliminate duplicates Z: 81 61.274 2.433 0.879 0.474 0.900 0.675 CB 1.711 81 residues pruned to eliminate duplicates Z: 57 59.124 2.457 0.824 0.570 0.964 0.696 CB 1.708 57 residues pruned to eliminate duplicates Z: 57 65.899 2.482 0.919 0.592 0.982 0.696 CB 1.723 57 residues pruned to eliminate duplicates Z: 17 39.036 2.267 0.877 0.896 0.938 0.875 CA 1.752 17 residues pruned to eliminate duplicates Z: 32 40.545 2.324 0.782 0.566 0.935 0.548 CB 1.763 32 residues pruned to eliminate duplicates Z: 31 43.488 2.387 0.796 0.593 0.967 0.567 CB 1.754 31 residues pruned to eliminate duplicates Z: 66 52.422 2.426 0.876 0.450 0.846 0.492 CB 1.778 66 residues pruned to eliminate duplicates Z: 57 47.030 2.342 0.877 0.466 0.857 0.554 CB 1.728 57 residues pruned to eliminate duplicates Z: 77 59.622 2.445 0.828 0.487 0.882 0.592 CB 1.759 78 residues pruned to eliminate duplicates Z: 17 45.000 2.314 0.875 0.938 1.000 0.750 CA 1.803 17 residues pruned to eliminate duplicates Z: 66 56.837 2.398 0.816 0.526 0.954 0.646 CB 1.653 66 residues pruned to eliminate duplicates Z: 45 56.997 2.501 0.974 0.519 0.932 0.659 CB 1.833 45 residues pruned to eliminate duplicates Z: 69 48.019 2.300 0.855 0.510 0.838 0.485 CB 1.612 69 residues pruned to eliminate duplicates Z: 62 64.626 2.469 0.951 0.560 0.967 0.557 CB 1.676 62 residues pruned to eliminate duplicates Z: 28 48.016 2.446 0.947 0.669 0.926 0.593 CB 1.792 28 residues pruned to eliminate duplicates Z: 31 41.336 2.270 1.066 0.617 0.900 0.367 CB 1.601 31 residues pruned to eliminate duplicates Z: 57 64.219 2.479 0.917 0.586 0.964 0.589 CB 1.725 57 residues pruned to eliminate duplicates Z: 60 46.685 2.288 0.721 0.538 0.915 0.593 CB 1.624 60 residues pruned to eliminate duplicates Z: 67 61.782 2.482 0.833 0.546 0.909 0.576 CB 1.757 67 residues pruned to eliminate duplicates Z: 55 54.286 2.412 0.860 0.544 0.981 0.630 CB 1.607 55 residues pruned to eliminate duplicates Z: 6 9.382 2.168 0.458 0.449 1.000 0.800 CA 1.399 6 residues pruned to eliminate duplicates Z: 67 59.674 2.430 0.819 0.536 0.924 0.621 CB 1.735 66 residues pruned to eliminate duplicates Z: 6 4.903 1.776 0.822 0.235 0.800 0.600 CB 1.152 Z: 6 10.794 2.112 0.777 0.376 1.000 0.600 C 1.468 6 residues pruned to eliminate duplicates Z: 22 33.389 2.289 0.813 0.622 0.952 0.619 CB 1.642 28 residues pruned to eliminate duplicates Z: 21 29.186 2.282 0.760 0.649 0.900 0.650 CB 1.571 21 residues pruned to eliminate duplicates Z: 22 32.046 2.269 0.988 0.610 0.905 0.667 CB 1.543 22 residues pruned to eliminate duplicates Z: 54 55.970 2.441 0.874 0.567 0.943 0.642 CB 1.668 55 residues pruned to eliminate duplicates Z: 14 25.467 2.243 0.484 0.889 1.000 0.769 CB 1.528 14 residues pruned to eliminate duplicates Z: 21 35.773 2.307 0.927 0.664 1.000 0.750 CB 1.547 21 residues pruned to eliminate duplicates Z: 32 45.662 2.479 1.006 0.522 0.968 0.710 CB 1.667 32 residues pruned to eliminate duplicates Z: 12 34.831 2.383 0.870 0.931 0.909 0.909 CB 1.811 12 residues pruned to eliminate duplicates Z: 15 33.008 2.144 0.878 0.904 1.000 0.929 CB 1.560 15 residues pruned to eliminate duplicates Z: 58 62.819 2.427 0.975 0.592 0.947 0.579 CB 1.679 57 residues pruned to eliminate duplicates Z: 15 31.292 2.074 0.930 0.892 0.929 0.857 CB 1.617 15 residues pruned to eliminate duplicates Z: 59 57.201 2.448 0.988 0.537 0.914 0.569 CB 1.628 59 residues pruned to eliminate duplicates Z: 79 66.646 2.459 1.041 0.485 0.897 0.654 CB 1.701 79 residues pruned to eliminate duplicates Z: 81 75.670 2.479 1.060 0.537 0.925 0.575 CB 1.728 81 residues pruned to eliminate duplicates Z: 76 70.812 2.475 1.042 0.516 0.933 0.680 CB 1.707 76 residues pruned to eliminate duplicates Z: 30 48.455 2.333 0.830 0.599 1.000 0.621 CB 1.918 30 residues pruned to eliminate duplicates Z: 42 35.974 2.323 0.711 0.470 0.878 0.488 CB 1.659 42 residues pruned to eliminate duplicates Z: 44 36.522 2.342 0.732 0.406 0.907 0.512 CB 1.671 44 residues pruned to eliminate duplicates Z: 79 67.230 2.453 0.871 0.516 0.936 0.628 CB 1.745 79 residues pruned to eliminate duplicates Z: 37 38.580 2.295 0.653 0.572 0.944 0.500 CB 1.674 37 residues pruned to eliminate duplicates Z: 66 53.512 2.405 1.039 0.434 0.877 0.538 CB 1.652 66 residues pruned to eliminate duplicates Z: 56 65.955 2.482 0.928 0.585 0.964 0.673 CB 1.778 56 residues pruned to eliminate duplicates Z: 78 60.741 2.427 0.863 0.496 0.909 0.584 CB 1.690 78 residues pruned to eliminate duplicates Z: 56 63.108 2.491 0.843 0.578 0.964 0.709 CB 1.784 56 residues pruned to eliminate duplicates Z: 56 61.157 2.481 0.796 0.590 0.964 0.691 CB 1.762 56 residues pruned to eliminate duplicates Z: 55 65.909 2.506 0.878 0.603 0.963 0.722 CB 1.794 55 residues pruned to eliminate duplicates Z: 79 66.537 2.464 0.902 0.527 0.897 0.654 CB 1.745 79 residues pruned to eliminate duplicates Z: 66 55.985 2.454 0.861 0.530 0.892 0.615 CB 1.655 66 residues pruned to eliminate duplicates Z: 55 44.408 2.404 0.808 0.417 0.907 0.537 CB 1.671 55 residues pruned to eliminate duplicates Z: 31 36.594 2.469 0.707 0.529 0.933 0.633 CB 1.650 31 residues pruned to eliminate duplicates Z: 67 56.576 2.417 0.955 0.466 0.864 0.515 CB 1.767 67 residues pruned to eliminate duplicates Z: 44 50.297 2.404 0.978 0.507 0.930 0.651 CB 1.722 44 residues pruned to eliminate duplicates Z: 46 54.720 2.443 0.977 0.557 0.911 0.622 CB 1.754 46 residues pruned to eliminate duplicates Z: 50 50.634 2.323 1.004 0.551 0.898 0.653 CB 1.647 50 residues pruned to eliminate duplicates Z: 22 28.174 2.309 1.369 0.429 0.810 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 16 15.085 2.061 0.772 0.450 0.800 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 108 71.798 2.363 0.918 0.453 0.916 0.673 CB 1.754 105 residues pruned to eliminate duplicates Z: 6 8.311 2.023 0.566 0.418 0.800 0.600 CB 1.599 6 residues pruned to eliminate duplicates Z: 12 28.451 2.323 1.105 0.647 1.000 0.818 CB 1.529 12 residues pruned to eliminate duplicates Z: 10 31.576 2.600 1.045 0.648 1.000 0.778 CB 1.725 10 residues pruned to eliminate duplicates Z: 67 67.428 2.500 0.956 0.523 0.909 0.652 CB 1.825 67 residues pruned to eliminate duplicates Z: 10 31.097 2.527 1.080 0.620 1.000 0.667 CB 1.761 10 residues pruned to eliminate duplicates Z: 41 58.293 2.480 1.202 0.557 0.875 0.675 CB 1.826 41 residues pruned to eliminate duplicates Z: 39 58.487 2.479 1.170 0.544 0.895 0.658 CB 1.888 39 residues pruned to eliminate duplicates Z: 21 31.362 2.336 1.205 0.500 0.850 0.600 CB 1.601 21 residues pruned to eliminate duplicates Z: 106 67.410 2.348 0.949 0.433 0.905 0.600 CB 1.704 106 residues pruned to eliminate duplicates Z: 26 55.763 2.541 1.244 0.646 0.880 0.680 CB 1.939 26 residues pruned to eliminate duplicates Z: 96 70.139 2.442 0.912 0.443 0.905 0.611 CB 1.806 96 residues pruned to eliminate duplicates Z: 19 37.787 2.506 1.148 0.499 0.944 0.722 CB 1.754 19 residues pruned to eliminate duplicates Z: 23 32.984 2.387 0.579 0.598 0.955 0.818 CB 1.781 23 residues pruned to eliminate duplicates Z: 68 52.234 2.315 0.846 0.470 0.896 0.627 CB 1.718 68 residues pruned to eliminate duplicates Z: 17 45.702 2.525 0.952 0.735 0.938 0.750 CA 2.001 17 residues pruned to eliminate duplicates Z: 22 39.054 2.432 0.796 0.625 0.952 0.619 CB 1.821 22 residues pruned to eliminate duplicates Z: 85 73.913 2.448 1.046 0.474 0.929 0.631 CB 1.780 88 residues pruned to eliminate duplicates Z: 14 28.388 2.189 0.877 0.840 0.923 0.846 CB 1.549 14 residues pruned to eliminate duplicates Z: 70 55.312 2.412 0.848 0.429 0.899 0.609 CB 1.789 70 residues pruned to eliminate duplicates Z: 77 50.961 2.317 0.725 0.456 0.908 0.632 CB 1.686 77 residues pruned to eliminate duplicates Z: 56 71.317 2.554 1.045 0.552 0.909 0.727 CB 1.925 56 residues pruned to eliminate duplicates Z: 53 61.455 2.485 0.955 0.538 0.942 0.635 CB 1.793 53 residues pruned to eliminate duplicates Z: 64 57.698 2.386 0.887 0.498 0.937 0.667 CB 1.727 64 residues pruned to eliminate duplicates Z: 79 65.298 2.408 0.995 0.477 0.897 0.679 CB 1.755 79 residues pruned to eliminate duplicates Z: 86 58.171 2.358 0.813 0.461 0.906 0.682 CB 1.696 86 residues pruned to eliminate duplicates Z: 83 65.458 2.434 0.962 0.457 0.878 0.695 CB 1.800 83 residues pruned to eliminate duplicates Z: 65 63.204 2.426 1.008 0.489 0.922 0.688 CB 1.780 65 residues pruned to eliminate duplicates Z: 62 61.068 2.423 1.003 0.489 0.918 0.623 CB 1.774 62 residues pruned to eliminate duplicates Z: 89 60.203 2.377 0.937 0.420 0.886 0.602 CB 1.711 89 residues pruned to eliminate duplicates Z: 10 10.255 2.096 1.089 0.247 0.667 0.556 CB 1.567 10 residues pruned to eliminate duplicates Z: 132 70.045 2.371 0.844 0.444 0.893 0.588 CB 1.660 132 residues pruned to eliminate duplicates Z: 78 68.101 2.418 1.004 0.473 0.909 0.623 CB 1.811 83 residues pruned to eliminate duplicates Z: 8 7.860 1.644 0.702 0.425 0.857 0.429 CA 1.339 8 residues pruned to eliminate duplicates Z: 125 68.397 2.390 0.777 0.459 0.895 0.597 CB 1.686 125 residues pruned to eliminate duplicates Z: 44 53.326 2.405 1.103 0.544 0.907 0.651 CB 1.698 44 residues pruned to eliminate duplicates Z: 88 63.828 2.395 0.950 0.433 0.897 0.609 CB 1.752 88 residues pruned to eliminate duplicates Z: 89 61.729 2.408 0.876 0.451 0.886 0.625 CB 1.729 89 residues pruned to eliminate duplicates Z: 47 41.283 2.296 0.855 0.427 0.913 0.630 CB 1.688 47 residues pruned to eliminate duplicates Z: 60 50.205 2.335 0.840 0.436 0.932 0.695 CB 1.743 60 residues pruned to eliminate duplicates Z: 37 35.714 2.355 0.854 0.459 0.861 0.583 CB 1.652 37 residues pruned to eliminate duplicates Z: 64 67.100 2.409 1.089 0.510 0.937 0.683 CB 1.775 64 residues pruned to eliminate duplicates Z: 65 43.299 2.337 0.817 0.384 0.859 0.594 CB 1.678 65 residues pruned to eliminate duplicates Z: 69 49.280 2.329 0.934 0.384 0.897 0.544 CB 1.673 69 residues pruned to eliminate duplicates Z: 52 47.111 2.294 0.947 0.409 0.961 0.608 CB 1.690 52 residues pruned to eliminate duplicates Z: 46 40.260 2.301 0.843 0.415 0.933 0.667 CB 1.657 46 residues pruned to eliminate duplicates Z: 73 47.329 2.299 0.862 0.404 0.875 0.556 CB 1.647 73 residues pruned to eliminate duplicates Z: 103 61.284 2.317 0.959 0.442 0.873 0.608 CB 1.626 103 residues pruned to eliminate duplicates Z: 68 43.123 2.250 0.782 0.388 0.881 0.597 CB 1.680 68 residues pruned to eliminate duplicates Z: 36 40.776 2.392 1.002 0.476 0.886 0.571 CB 1.665 36 residues pruned to eliminate duplicates Z: 64 44.120 2.300 0.829 0.400 0.889 0.619 CB 1.652 64 residues pruned to eliminate duplicates Z: 53 46.663 2.361 0.963 0.397 0.923 0.615 CB 1.688 53 residues pruned to eliminate duplicates Z: 64 45.140 2.281 0.848 0.403 0.857 0.603 CB 1.742 64 residues pruned to eliminate duplicates Z: 67 62.598 2.419 1.049 0.497 0.909 0.636 CB 1.715 67 residues pruned to eliminate duplicates Z: 76 46.037 2.261 0.847 0.373 0.893 0.573 CB 1.632 76 residues pruned to eliminate duplicates Z: 73 48.880 2.326 0.854 0.404 0.917 0.639 CB 1.612 73 residues pruned to eliminate duplicates Z: 115 68.310 2.394 0.822 0.433 0.912 0.596 CB 1.723 115 residues pruned to eliminate duplicates Z: 54 41.070 2.301 0.827 0.365 0.906 0.623 CB 1.714 54 residues pruned to eliminate duplicates Z: 59 51.031 2.354 0.944 0.456 0.879 0.638 CB 1.742 59 residues pruned to eliminate duplicates Z: 72 49.601 2.357 0.955 0.377 0.873 0.634 CB 1.667 72 residues pruned to eliminate duplicates Z: 105 72.175 2.427 0.981 0.458 0.894 0.683 CB 1.719 105 residues pruned to eliminate duplicates Z: 73 43.773 2.303 0.850 0.373 0.847 0.597 CB 1.636 73 residues pruned to eliminate duplicates Z: 44 49.140 2.342 0.984 0.451 0.953 0.674 CB 1.779 44 residues pruned to eliminate duplicates Z: 72 49.629 2.297 0.905 0.399 0.901 0.606 CB 1.661 72 residues pruned to eliminate duplicates Z: 86 55.150 2.349 0.958 0.418 0.871 0.647 CB 1.628 86 residues pruned to eliminate duplicates Z: 72 49.444 2.344 0.919 0.381 0.873 0.606 CB 1.695 72 residues pruned to eliminate duplicates Z: 47 44.061 2.337 1.009 0.414 0.891 0.674 CB 1.698 47 residues pruned to eliminate duplicates Z: 80 54.671 2.371 0.950 0.411 0.848 0.595 CB 1.721 80 residues pruned to eliminate duplicates Z: 59 40.210 2.260 0.898 0.380 0.845 0.586 CB 1.656 59 residues pruned to eliminate duplicates Z: 61 45.724 2.328 0.936 0.411 0.817 0.600 CB 1.760 61 residues pruned to eliminate duplicates Z: 78 67.642 2.433 1.026 0.477 0.909 0.662 CB 1.762 78 residues pruned to eliminate duplicates Z: 75 46.434 2.342 1.024 0.376 0.797 0.635 CB 1.630 75 residues pruned to eliminate duplicates Z: 67 46.783 2.310 0.939 0.397 0.864 0.667 CB 1.660 67 residues pruned to eliminate duplicates Z: 80 43.866 2.327 0.845 0.329 0.861 0.544 CB 1.611 80 residues pruned to eliminate duplicates Z: 73 50.477 2.352 0.969 0.393 0.861 0.583 CB 1.670 73 residues pruned to eliminate duplicates Z: 64 52.518 2.346 1.004 0.427 0.873 0.619 CB 1.739 64 residues pruned to eliminate duplicates Z: 51 41.840 2.305 0.913 0.390 0.900 0.620 CB 1.676 51 residues pruned to eliminate duplicates Z: 57 43.140 2.259 0.970 0.376 0.911 0.536 CB 1.624 57 residues pruned to eliminate duplicates Z: 81 56.023 2.378 0.988 0.419 0.850 0.588 CB 1.695 81 residues pruned to eliminate duplicates Z: 71 52.712 2.378 0.946 0.400 0.900 0.643 CB 1.681 71 residues pruned to eliminate duplicates Z: 79 65.622 2.353 1.051 0.488 0.897 0.577 CB 1.736 79 residues pruned to eliminate duplicates Z: 67 50.928 2.338 0.971 0.399 0.909 0.667 CB 1.666 67 residues pruned to eliminate duplicates Z: 64 44.236 2.324 0.909 0.385 0.841 0.651 CB 1.687 64 residues pruned to eliminate duplicates Z: 135 74.477 2.373 0.883 0.450 0.888 0.597 CB 1.707 135 residues pruned to eliminate duplicates Z: 27 26.362 2.281 0.885 0.334 0.846 0.538 CB 1.705 27 residues pruned to eliminate duplicates Z: 26 22.356 2.246 0.891 0.288 0.840 0.560 CB 1.591 26 residues pruned to eliminate duplicates Z: 131 76.031 2.396 0.890 0.468 0.908 0.615 CB 1.676 131 residues pruned to eliminate duplicates Z: 88 64.010 2.375 1.054 0.449 0.862 0.667 CB 1.719 88 residues pruned to eliminate duplicates Z: 72 54.226 2.359 0.970 0.388 0.915 0.634 CB 1.703 72 residues pruned to eliminate duplicates Z: 72 49.202 2.333 0.944 0.372 0.887 0.704 CB 1.664 72 residues pruned to eliminate duplicates Z: 22 21.097 2.297 1.036 0.315 0.762 0.571 CB 1.585 22 residues pruned to eliminate duplicates Z: 20 18.127 2.341 0.868 0.238 0.737 0.421 CB 1.748 20 residues pruned to eliminate duplicates Z: 128 73.639 2.357 0.914 0.458 0.882 0.622 CB 1.715 128 residues pruned to eliminate duplicates Z: 8 6.751 1.712 0.441 0.399 0.857 0.286 CB 1.342 8 residues pruned to eliminate duplicates Z: 7 8.324 2.017 0.349 0.489 0.833 0.500 CB 1.515 7 residues pruned to eliminate duplicates Z: 11 9.666 2.092 0.569 0.391 0.900 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 19 18.343 2.246 0.774 0.321 0.833 0.500 CB 1.587 19 residues pruned to eliminate duplicates Z: 14 39.729 2.509 1.493 0.579 0.846 0.769 CA 1.929 14 residues pruned to eliminate duplicates Z: 46 35.734 2.356 0.989 0.346 0.867 0.489 CB 1.551 46 residues pruned to eliminate duplicates Z: 9 6.206 2.115 0.957 0.251 0.500 0.375 CA 1.412 9 residues pruned to eliminate duplicates Z: 51 50.306 2.435 0.932 0.488 0.880 0.560 CB 1.739 51 residues pruned to eliminate duplicates Z: 15 29.727 2.434 1.192 0.482 0.786 0.571 CB 1.930 15 residues pruned to eliminate duplicates Z: 7 4.251 2.199 0.545 0.266 0.667 0.500 CB 1.001 7 residues pruned to eliminate duplicates Z: 36 31.636 2.362 0.900 0.355 0.800 0.457 CB 1.742 36 residues pruned to eliminate duplicates Z: 58 40.393 2.378 0.726 0.354 0.895 0.439 CB 1.706 58 residues pruned to eliminate duplicates Z: 77 64.194 2.450 0.874 0.482 0.934 0.618 CB 1.747 77 residues pruned to eliminate duplicates Z: 78 58.714 2.417 0.856 0.481 0.883 0.584 CB 1.722 78 residues pruned to eliminate duplicates Z: 59 47.786 2.420 0.824 0.462 0.897 0.621 CB 1.649 59 residues pruned to eliminate duplicates Z: 21 38.053 2.644 1.184 0.415 0.850 0.600 CB 1.895 21 residues pruned to eliminate duplicates Z: 39 44.595 2.375 0.873 0.549 0.895 0.605 CB 1.732 39 residues pruned to eliminate duplicates Z: 56 52.703 2.515 0.820 0.460 0.909 0.600 CB 1.778 56 residues pruned to eliminate duplicates Z: 38 37.130 2.367 0.693 0.520 0.892 0.514 CB 1.675 38 residues pruned to eliminate duplicates Z: 21 45.013 2.669 1.226 0.435 0.900 0.500 CB 2.013 21 residues pruned to eliminate duplicates Z: 77 50.671 2.390 0.764 0.439 0.855 0.579 CB 1.717 77 residues pruned to eliminate duplicates Z: 46 50.872 2.437 0.903 0.518 0.933 0.511 CB 1.720 46 residues pruned to eliminate duplicates Z: 36 29.541 2.350 0.878 0.391 0.771 0.457 CB 1.646 36 residues pruned to eliminate duplicates Z: 30 20.158 2.298 0.729 0.319 0.759 0.414 CB 1.516 30 residues pruned to eliminate duplicates Z: 77 58.071 2.421 0.813 0.483 0.895 0.618 CB 1.725 77 residues pruned to eliminate duplicates Z: 47 42.891 2.358 0.846 0.474 0.870 0.500 CB 1.715 47 residues pruned to eliminate duplicates Z: 54 63.006 2.459 0.876 0.586 0.962 0.679 CB 1.796 54 residues pruned to eliminate duplicates Z: 79 68.062 2.455 0.923 0.512 0.897 0.628 CB 1.797 79 residues pruned to eliminate duplicates Z: 38 40.440 2.431 0.630 0.555 0.919 0.568 CB 1.730 38 residues pruned to eliminate duplicates Z: 66 53.127 2.365 0.767 0.529 0.892 0.523 CB 1.717 66 residues pruned to eliminate duplicates Z: 68 48.553 2.410 0.628 0.498 0.881 0.672 CB 1.720 68 residues pruned to eliminate duplicates Z: 72 58.364 2.417 0.863 0.503 0.887 0.620 CB 1.728 72 residues pruned to eliminate duplicates Z: 36 49.489 2.447 0.809 0.541 1.000 0.600 CB 1.815 36 residues pruned to eliminate duplicates Z: 44 36.713 2.338 0.717 0.480 0.884 0.558 CB 1.610 44 residues pruned to eliminate duplicates Z: 28 39.677 2.395 0.620 0.654 0.963 0.667 CB 1.771 28 residues pruned to eliminate duplicates Z: 46 40.837 2.406 0.729 0.468 0.889 0.556 CB 1.700 46 residues pruned to eliminate duplicates Z: 57 50.048 2.378 0.785 0.489 0.875 0.643 CB 1.821 57 residues pruned to eliminate duplicates Z: 52 41.658 2.375 0.711 0.474 0.824 0.549 CB 1.790 52 residues pruned to eliminate duplicates Z: 30 35.175 2.352 0.585 0.614 0.931 0.621 CB 1.690 30 residues pruned to eliminate duplicates Z: 41 34.647 2.287 0.668 0.473 0.900 0.550 CB 1.641 41 residues pruned to eliminate duplicates Z: 81 69.811 2.480 0.990 0.525 0.887 0.588 CB 1.740 81 residues pruned to eliminate duplicates Z: 21 30.867 2.355 0.602 0.642 0.950 0.850 CB 1.686 21 residues pruned to eliminate duplicates Z: 37 41.510 2.464 0.827 0.522 0.861 0.694 CB 1.747 37 residues pruned to eliminate duplicates Z: 21 31.442 2.327 0.688 0.632 0.950 0.850 CB 1.665 21 residues pruned to eliminate duplicates Z: 22 34.319 2.308 0.944 0.610 0.905 0.762 CB 1.661 22 residues pruned to eliminate duplicates Z: 57 57.011 2.435 0.791 0.576 0.946 0.696 CB 1.716 57 residues pruned to eliminate duplicates Z: 80 64.574 2.423 0.931 0.518 0.911 0.658 CB 1.674 80 residues pruned to eliminate duplicates Z: 20 40.022 2.514 0.882 0.673 0.947 0.895 CB 1.746 20 residues pruned to eliminate duplicates Z: 31 43.505 2.453 0.972 0.533 0.933 0.833 CB 1.703 31 residues pruned to eliminate duplicates Z: 20 38.100 2.423 0.961 0.691 0.895 0.789 CB 1.726 20 residues pruned to eliminate duplicates Z: 78 64.282 2.420 0.976 0.504 0.883 0.610 CB 1.728 78 residues pruned to eliminate duplicates Z: 57 64.750 2.460 1.055 0.586 0.929 0.696 CB 1.698 58 residues pruned to eliminate duplicates Z: 15 34.347 2.186 0.790 0.886 1.000 0.857 CB 1.693 14 residues pruned to eliminate duplicates Z: 13 41.085 2.427 0.928 0.929 1.000 1.000 CB 1.773 14 residues pruned to eliminate duplicates Z: 14 42.017 2.272 1.041 0.926 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 14 42.586 2.239 1.102 0.926 1.000 0.923 CB 1.760 14 residues pruned to eliminate duplicates Z: 15 39.687 2.162 0.976 0.943 1.000 0.857 CB 1.721 14 residues pruned to eliminate duplicates 388 residues left after pruning, divided into chains as follows: A: 178 B: 19 C: 191 CC for partial structure against native data = 43.67 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.533, Connect. = 0.764 for dens.mod. cycle 1 = 0.300, Contrast = 0.613, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.730, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 0.744, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 0.759, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.764, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.770, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.772, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.775, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2608 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 595 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 30.126 2.336 1.536 0.449 0.846 0.462 CB 1.755 B: 50 49.273 2.454 0.911 0.493 0.837 0.531 CB 1.806 14 residues pruned to eliminate duplicates C: 13 32.881 2.282 0.831 0.806 0.917 0.917 CA 1.898 D: 13 25.750 2.369 0.281 0.939 1.000 0.917 CB 1.703 E: 13 32.425 2.276 0.773 0.828 0.917 0.833 CA 1.905 13 residues pruned to eliminate duplicates F: 16 44.115 2.341 1.029 0.885 0.933 0.867 CA 1.855 16 residues pruned to eliminate duplicates G: 53 56.376 2.458 1.098 0.437 0.885 0.596 CB 1.828 22 residues pruned to eliminate duplicates H: 7 13.618 2.362 0.639 0.536 0.833 0.667 CA 1.662 7 residues pruned to eliminate duplicates I: 42 50.390 2.451 1.121 0.501 0.829 0.634 CB 1.823 23 residues pruned to eliminate duplicates J: 10 19.343 2.327 1.437 0.359 0.778 0.556 CB 1.701 10 residues pruned to eliminate duplicates K: 17 38.743 2.291 1.048 0.869 0.875 0.562 CB 1.723 17 residues pruned to eliminate duplicates L: 72 46.588 2.289 0.977 0.397 0.859 0.620 CB 1.585 72 residues pruned to eliminate duplicates M: 51 52.188 2.412 0.865 0.526 0.940 0.600 CB 1.702 50 residues pruned to eliminate duplicates N: 14 25.469 2.270 0.335 0.926 1.000 0.923 CB 1.634 14 residues pruned to eliminate duplicates O: 13 39.567 2.293 1.185 0.811 0.917 0.833 CA 1.898 13 residues pruned to eliminate duplicates P: 13 34.906 2.355 0.898 0.818 0.917 0.750 CB 1.866 13 residues pruned to eliminate duplicates Q: 10 18.803 2.387 0.860 0.490 0.889 0.667 CB 1.604 10 residues pruned to eliminate duplicates R: 13 44.906 2.365 1.080 0.924 1.000 0.667 CA 1.850 13 residues pruned to eliminate duplicates S: 8 8.233 1.993 0.556 0.591 0.714 0.286 CB 1.288 T: 98 66.794 2.415 0.863 0.429 0.897 0.649 CB 1.810 85 residues pruned to eliminate duplicates U: 12 45.827 2.491 1.019 0.870 1.000 0.909 CA 2.006 12 residues pruned to eliminate duplicates V: 44 38.684 2.339 0.731 0.455 0.907 0.558 CB 1.682 44 residues pruned to eliminate duplicates W: 52 34.975 2.236 0.853 0.388 0.863 0.608 CB 1.544 52 residues pruned to eliminate duplicates X: 8 13.848 2.355 0.838 0.540 0.714 0.571 CB 1.629 Y: 12 48.066 2.478 1.096 0.899 1.000 0.909 CA 1.993 12 residues pruned to eliminate duplicates Z: 13 34.978 2.225 1.104 0.813 0.917 0.833 CB 1.792 13 residues pruned to eliminate duplicates Z: 26 27.630 2.325 0.776 0.385 0.840 0.520 CB 1.801 26 residues pruned to eliminate duplicates Z: 17 46.699 2.265 1.215 0.866 1.000 0.688 CB 1.704 17 residues pruned to eliminate duplicates Z: 51 57.744 2.489 0.938 0.524 0.920 0.660 CB 1.797 51 residues pruned to eliminate duplicates Z: 13 35.246 2.362 0.856 0.923 1.000 0.833 CB 1.631 13 residues pruned to eliminate duplicates Z: 13 36.112 2.255 1.209 0.892 0.833 0.750 C 1.804 13 residues pruned to eliminate duplicates Z: 14 34.256 2.278 0.626 0.937 1.000 0.769 CB 1.784 Z: 69 58.047 2.336 0.950 0.482 0.941 0.588 CB 1.671 69 residues pruned to eliminate duplicates Z: 62 60.836 2.412 0.843 0.560 0.951 0.705 CB 1.739 47 residues pruned to eliminate duplicates Z: 16 45.773 2.442 0.970 0.907 0.933 0.800 CB 1.871 Z: 15 24.979 2.131 0.491 0.862 0.929 0.929 CB 1.661 15 residues pruned to eliminate duplicates Z: 17 39.900 2.316 0.977 0.881 0.938 0.500 CB 1.682 17 residues pruned to eliminate duplicates Z: 17 22.564 2.514 1.097 0.311 0.750 0.438 CB 1.759 Z: 17 48.262 2.343 1.032 0.886 1.000 0.750 CB 1.829 17 residues pruned to eliminate duplicates Z: 13 23.763 2.361 0.176 0.928 1.000 0.917 CB 1.730 13 residues pruned to eliminate duplicates Z: 33 33.300 2.186 1.002 0.390 0.875 0.719 CB 1.727 Z: 10 10.736 2.033 0.829 0.439 0.667 0.444 CA 1.537 7 residues pruned to eliminate duplicates Z: 14 28.078 2.287 0.557 0.924 0.923 0.769 CB 1.665 14 residues pruned to eliminate duplicates Z: 13 13.621 2.049 0.877 0.529 0.917 0.500 CB 1.084 13 residues pruned to eliminate duplicates Z: 16 39.917 2.343 0.705 0.904 1.000 0.867 CA 1.837 16 residues pruned to eliminate duplicates Z: 105 61.961 2.343 0.890 0.417 0.885 0.510 CB 1.691 59 residues pruned to eliminate duplicates Z: 9 20.632 2.070 0.434 0.896 1.000 0.875 CB 1.760 Z: 19 21.744 2.468 1.032 0.307 0.889 0.667 CB 1.425 19 residues pruned to eliminate duplicates Z: 78 59.399 2.416 0.907 0.508 0.844 0.610 CB 1.726 78 residues pruned to eliminate duplicates Z: 52 57.771 2.435 0.995 0.494 0.902 0.529 CB 1.857 52 residues pruned to eliminate duplicates Z: 54 48.854 2.452 0.849 0.484 0.868 0.604 CB 1.734 54 residues pruned to eliminate duplicates Z: 16 44.401 2.378 0.983 0.902 0.933 0.800 CB 1.857 16 residues pruned to eliminate duplicates Z: 37 50.129 2.496 1.230 0.556 0.861 0.694 CB 1.651 37 residues pruned to eliminate duplicates Z: 31 37.923 2.425 0.776 0.538 0.967 0.667 CB 1.602 31 residues pruned to eliminate duplicates Z: 13 33.878 2.419 0.622 0.918 1.000 0.917 CB 1.757 13 residues pruned to eliminate duplicates Z: 17 43.263 2.348 0.984 0.885 0.938 0.625 CB 1.788 17 residues pruned to eliminate duplicates Z: 14 29.813 2.239 0.551 0.909 1.000 0.923 CB 1.690 14 residues pruned to eliminate duplicates Z: 17 37.716 2.332 0.726 0.875 0.938 0.750 CA 1.816 17 residues pruned to eliminate duplicates Z: 61 51.791 2.382 0.830 0.535 0.917 0.600 CB 1.617 61 residues pruned to eliminate duplicates Z: 31 38.601 2.469 0.821 0.540 0.933 0.667 CB 1.616 31 residues pruned to eliminate duplicates Z: 15 40.565 2.516 0.882 0.746 0.929 0.786 CA 1.979 15 residues pruned to eliminate duplicates Z: 12 61.346 2.571 1.425 0.927 1.000 0.909 CA 2.079 12 residues pruned to eliminate duplicates Z: 15 44.656 2.601 0.923 0.743 0.929 0.714 CA 2.067 15 residues pruned to eliminate duplicates Z: 17 20.191 2.262 0.892 0.485 0.750 0.688 CA 1.596 17 residues pruned to eliminate duplicates Z: 30 47.890 2.523 1.018 0.558 0.966 0.724 CB 1.711 31 residues pruned to eliminate duplicates Z: 36 42.249 2.379 0.977 0.496 0.914 0.571 CB 1.667 17 residues pruned to eliminate duplicates Z: 86 53.765 2.280 0.882 0.459 0.906 0.612 CB 1.563 66 residues pruned to eliminate duplicates Z: 32 35.097 2.374 0.656 0.557 0.968 0.710 CB 1.569 32 residues pruned to eliminate duplicates Z: 62 62.611 2.473 0.826 0.588 0.951 0.672 CB 1.715 61 residues pruned to eliminate duplicates Z: 15 35.248 2.156 0.805 0.921 1.000 0.786 CB 1.705 15 residues pruned to eliminate duplicates Z: 16 27.784 2.123 0.503 0.890 1.000 0.867 CB 1.618 16 residues pruned to eliminate duplicates Z: 16 29.157 2.085 0.582 0.906 1.000 0.733 CB 1.624 16 residues pruned to eliminate duplicates Z: 31 37.071 2.368 0.802 0.604 0.833 0.667 CB 1.724 31 residues pruned to eliminate duplicates Z: 31 22.640 2.166 0.690 0.286 0.900 0.500 CB 1.597 Z: 88 48.615 2.246 0.744 0.457 0.874 0.609 CB 1.592 88 residues pruned to eliminate duplicates Z: 31 21.384 2.226 0.665 0.317 0.833 0.567 CB 1.548 31 residues pruned to eliminate duplicates Z: 11 14.026 2.280 0.967 0.452 0.700 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 10 17.962 2.061 0.633 0.896 0.889 0.889 CA 1.434 10 residues pruned to eliminate duplicates Z: 44 60.918 2.504 1.141 0.527 0.907 0.535 CB 1.861 44 residues pruned to eliminate duplicates Z: 16 27.324 2.331 1.031 0.481 0.867 0.667 CA 1.752 16 residues pruned to eliminate duplicates Z: 13 38.520 2.336 1.188 0.821 0.917 0.750 CB 1.796 13 residues pruned to eliminate duplicates Z: 17 39.058 2.305 0.970 0.864 0.938 0.500 CB 1.682 17 residues pruned to eliminate duplicates Z: 87 48.596 2.248 0.936 0.365 0.860 0.523 CB 1.617 87 residues pruned to eliminate duplicates Z: 15 20.845 2.237 0.876 0.424 0.857 0.643 CB 1.677 15 residues pruned to eliminate duplicates Z: 26 20.742 2.278 0.725 0.323 0.800 0.440 CB 1.603 26 residues pruned to eliminate duplicates Z: 72 50.643 2.373 0.957 0.390 0.873 0.606 CB 1.664 72 residues pruned to eliminate duplicates Z: 10 21.911 2.142 0.549 0.880 1.000 0.889 CB 1.594 10 residues pruned to eliminate duplicates Z: 52 47.097 2.259 1.009 0.510 0.902 0.549 CB 1.596 52 residues pruned to eliminate duplicates Z: 13 24.914 2.365 0.335 0.924 0.917 0.917 CB 1.745 14 residues pruned to eliminate duplicates Z: 10 23.425 2.296 0.500 0.819 1.000 1.000 CA 1.720 10 residues pruned to eliminate duplicates Z: 13 35.079 2.350 0.787 0.893 1.000 1.000 CB 1.731 14 residues pruned to eliminate duplicates Z: 7 8.393 1.880 0.374 0.692 0.833 0.500 CB 1.336 7 residues pruned to eliminate duplicates Z: 15 27.452 2.190 0.523 0.908 0.929 0.857 CB 1.682 15 residues pruned to eliminate duplicates Z: 13 32.535 2.401 0.580 0.924 1.000 1.000 CB 1.738 13 residues pruned to eliminate duplicates Z: 16 33.031 2.302 0.530 0.911 1.000 0.933 CA 1.717 16 residues pruned to eliminate duplicates Z: 16 20.084 2.326 0.863 0.464 0.733 0.600 CA 1.693 16 residues pruned to eliminate duplicates Z: 6 10.917 2.033 0.456 0.710 1.000 0.800 CA 1.364 6 residues pruned to eliminate duplicates Z: 10 13.485 1.816 0.827 0.694 0.889 0.556 CB 1.276 10 residues pruned to eliminate duplicates Z: 18 37.732 2.506 1.157 0.585 0.882 0.765 CB 1.769 18 residues pruned to eliminate duplicates Z: 101 58.731 2.363 0.922 0.420 0.880 0.600 CB 1.597 100 residues pruned to eliminate duplicates Z: 16 8.800 1.879 0.294 0.472 0.800 0.600 CB 1.202 Z: 50 40.289 2.291 0.880 0.428 0.898 0.612 CB 1.604 50 residues pruned to eliminate duplicates Z: 15 40.098 2.555 0.735 0.718 1.000 0.714 CB 1.985 15 residues pruned to eliminate duplicates Z: 17 40.053 2.333 0.888 0.882 0.938 0.688 CB 1.755 17 residues pruned to eliminate duplicates Z: 17 37.131 2.330 0.777 0.857 0.938 0.750 CB 1.763 17 residues pruned to eliminate duplicates Z: 14 32.117 2.297 0.586 0.933 1.000 0.846 CB 1.706 14 residues pruned to eliminate duplicates Z: 8 17.901 1.855 0.863 0.713 1.000 0.714 C 1.614 8 residues pruned to eliminate duplicates Z: 8 22.817 2.239 0.536 0.886 1.000 0.857 CB 1.810 8 residues pruned to eliminate duplicates Z: 14 33.352 2.257 0.754 0.908 1.000 0.769 CB 1.659 13 residues pruned to eliminate duplicates Z: 50 48.387 2.337 1.014 0.409 0.959 0.653 CB 1.685 50 residues pruned to eliminate duplicates Z: 13 28.228 2.224 0.576 0.888 1.000 0.917 CA 1.675 13 residues pruned to eliminate duplicates Z: 16 36.180 2.360 0.545 0.911 1.000 0.933 CA 1.816 16 residues pruned to eliminate duplicates Z: 14 11.658 2.056 0.698 0.269 0.846 0.462 CB 1.424 14 residues pruned to eliminate duplicates Z: 16 42.854 2.344 0.867 0.943 0.933 0.800 CB 1.878 16 residues pruned to eliminate duplicates Z: 14 31.064 2.310 0.549 0.944 1.000 1.000 CB 1.667 14 residues pruned to eliminate duplicates Z: 15 47.715 2.438 1.068 0.921 0.929 0.786 CB 1.917 15 residues pruned to eliminate duplicates Z: 31 39.227 2.374 0.814 0.528 0.933 0.800 CB 1.733 31 residues pruned to eliminate duplicates Z: 13 38.522 2.264 1.148 0.919 1.000 0.833 CB 1.611 13 residues pruned to eliminate duplicates Z: 15 24.081 2.103 0.449 0.863 1.000 0.786 CB 1.550 15 residues pruned to eliminate duplicates Z: 35 23.074 2.264 0.838 0.259 0.794 0.500 CB 1.577 35 residues pruned to eliminate duplicates Z: 23 23.272 2.385 0.767 0.308 0.818 0.500 CB 1.781 23 residues pruned to eliminate duplicates Z: 52 36.228 2.223 0.828 0.411 0.902 0.608 CB 1.519 52 residues pruned to eliminate duplicates Z: 101 57.331 2.373 0.847 0.394 0.880 0.570 CB 1.662 101 residues pruned to eliminate duplicates Z: 69 45.123 2.336 1.000 0.372 0.824 0.618 CB 1.631 69 residues pruned to eliminate duplicates Z: 89 44.890 2.235 0.792 0.391 0.875 0.557 CB 1.533 89 residues pruned to eliminate duplicates Z: 72 42.193 2.261 0.770 0.389 0.915 0.577 CB 1.538 72 residues pruned to eliminate duplicates Z: 17 39.704 2.297 0.746 0.858 1.000 0.750 CB 1.822 17 residues pruned to eliminate duplicates Z: 12 14.197 1.796 0.214 0.896 1.000 0.818 CB 1.407 12 residues pruned to eliminate duplicates Z: 33 34.652 2.110 0.919 0.594 0.875 0.750 CB 1.580 33 residues pruned to eliminate duplicates Z: 14 30.582 2.231 0.671 0.924 1.000 0.923 CB 1.599 14 residues pruned to eliminate duplicates Z: 16 24.679 2.348 0.803 0.490 0.867 0.733 CA 1.755 16 residues pruned to eliminate duplicates Z: 15 33.968 2.445 0.571 0.868 0.929 0.786 CB 1.860 15 residues pruned to eliminate duplicates Z: 17 31.804 2.396 1.441 0.551 0.812 0.688 CB 1.592 17 residues pruned to eliminate duplicates Z: 13 47.811 2.301 1.307 0.912 1.000 0.583 CB 1.841 13 residues pruned to eliminate duplicates Z: 13 5.681 1.803 0.295 0.260 0.750 0.583 CB 1.232 13 residues pruned to eliminate duplicates Z: 64 44.098 2.314 0.901 0.386 0.905 0.603 CB 1.576 64 residues pruned to eliminate duplicates Z: 8 7.539 2.298 0.082 0.467 0.857 0.571 CB 1.383 8 residues pruned to eliminate duplicates Z: 15 32.184 2.156 0.986 0.849 0.929 0.857 CB 1.603 15 residues pruned to eliminate duplicates Z: 31 41.198 2.307 0.691 0.630 0.967 0.533 CB 1.765 31 residues pruned to eliminate duplicates Z: 79 64.367 2.404 0.986 0.471 0.910 0.615 CB 1.727 79 residues pruned to eliminate duplicates Z: 72 43.582 2.333 0.893 0.362 0.845 0.535 CB 1.607 72 residues pruned to eliminate duplicates Z: 24 23.039 2.331 0.787 0.337 0.870 0.478 CB 1.585 24 residues pruned to eliminate duplicates Z: 12 16.975 1.801 0.432 0.914 1.000 0.909 CB 1.404 12 residues pruned to eliminate duplicates Z: 69 51.673 2.357 0.981 0.402 0.882 0.632 CB 1.687 69 residues pruned to eliminate duplicates Z: 66 51.601 2.342 1.013 0.476 0.862 0.523 CB 1.615 66 residues pruned to eliminate duplicates Z: 10 11.196 1.989 0.758 0.361 0.889 0.444 CA 1.395 10 residues pruned to eliminate duplicates Z: 12 13.469 1.797 0.399 0.868 0.909 0.909 CB 1.298 12 residues pruned to eliminate duplicates Z: 45 45.310 2.332 0.809 0.523 0.886 0.591 CB 1.786 45 residues pruned to eliminate duplicates Z: 17 35.492 2.241 0.596 0.902 1.000 0.875 CB 1.769 17 residues pruned to eliminate duplicates Z: 9 14.169 2.089 0.779 0.632 0.875 0.750 CA 1.360 9 residues pruned to eliminate duplicates Z: 91 53.213 2.367 0.852 0.372 0.889 0.511 CB 1.651 91 residues pruned to eliminate duplicates Z: 15 8.653 1.922 0.419 0.299 0.786 0.500 CB 1.351 15 residues pruned to eliminate duplicates Z: 9 28.409 2.327 0.751 0.826 1.000 0.750 CB 1.859 9 residues pruned to eliminate duplicates Z: 8 8.276 1.800 0.934 0.416 0.857 0.571 CB 1.145 Z: 7 15.753 2.332 0.805 0.513 0.833 0.833 CA 1.810 7 residues pruned to eliminate duplicates Z: 14 23.595 2.316 0.852 0.475 0.923 0.538 CB 1.696 14 residues pruned to eliminate duplicates Z: 21 24.342 2.266 0.321 0.652 1.000 0.800 CB 1.579 21 residues pruned to eliminate duplicates Z: 16 43.103 2.324 0.862 0.923 1.000 0.733 CA 1.807 16 residues pruned to eliminate duplicates Z: 9 19.545 2.207 0.367 0.874 1.000 1.000 CB 1.667 9 residues pruned to eliminate duplicates Z: 51 48.346 2.369 0.778 0.494 0.900 0.540 CB 1.814 51 residues pruned to eliminate duplicates Z: 21 17.520 1.959 0.712 0.359 0.850 0.700 CB 1.601 21 residues pruned to eliminate duplicates Z: 51 43.555 2.268 0.995 0.423 0.900 0.680 CB 1.639 51 residues pruned to eliminate duplicates Z: 16 36.367 2.417 0.623 0.864 0.933 0.667 CA 1.881 16 residues pruned to eliminate duplicates Z: 27 40.270 2.366 0.748 0.589 0.962 0.692 CB 1.824 27 residues pruned to eliminate duplicates Z: 85 64.450 2.387 1.095 0.443 0.881 0.607 CB 1.692 85 residues pruned to eliminate duplicates Z: 71 53.656 2.358 0.990 0.397 0.914 0.671 CB 1.667 71 residues pruned to eliminate duplicates Z: 80 51.388 2.268 0.878 0.428 0.911 0.646 CB 1.604 80 residues pruned to eliminate duplicates Z: 15 36.234 2.102 1.021 0.902 1.000 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 48 47.343 2.331 1.039 0.433 0.936 0.702 CB 1.664 48 residues pruned to eliminate duplicates Z: 10 18.297 2.390 0.785 0.505 0.889 0.667 CB 1.601 18 residues pruned to eliminate duplicates Z: 92 67.173 2.359 1.075 0.433 0.923 0.593 CB 1.671 92 residues pruned to eliminate duplicates Z: 15 24.052 2.084 0.753 0.875 0.857 0.643 CB 1.494 15 residues pruned to eliminate duplicates Z: 18 18.592 2.050 0.878 0.438 0.824 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 31 37.541 2.282 0.997 0.535 0.900 0.667 CB 1.615 31 residues pruned to eliminate duplicates Z: 39 59.073 2.514 1.148 0.596 0.868 0.684 CB 1.864 39 residues pruned to eliminate duplicates Z: 9 7.033 1.638 0.223 0.802 0.875 0.500 CB 1.090 9 residues pruned to eliminate duplicates Z: 17 19.934 2.313 0.787 0.396 0.750 0.625 CA 1.795 17 residues pruned to eliminate duplicates Z: 54 36.000 2.290 0.770 0.386 0.868 0.566 CB 1.585 54 residues pruned to eliminate duplicates Z: 10 12.634 2.106 0.830 0.424 0.667 0.556 CA 1.775 10 residues pruned to eliminate duplicates Z: 70 46.280 2.333 0.756 0.397 0.928 0.594 CB 1.635 70 residues pruned to eliminate duplicates Z: 68 58.397 2.392 1.019 0.462 0.896 0.642 CB 1.714 68 residues pruned to eliminate duplicates Z: 83 54.460 2.351 0.876 0.427 0.890 0.610 CB 1.652 83 residues pruned to eliminate duplicates Z: 9 7.856 1.786 0.533 0.364 0.875 0.500 CA 1.342 8 residues pruned to eliminate duplicates Z: 7 5.191 1.682 0.549 0.561 0.833 0.500 CB 0.920 Z: 32 29.805 2.058 1.139 0.574 0.806 0.710 CB 1.404 32 residues pruned to eliminate duplicates Z: 50 35.549 2.235 0.855 0.382 0.898 0.633 CB 1.546 50 residues pruned to eliminate duplicates Z: 15 20.838 2.031 0.338 0.836 0.929 0.786 CB 1.652 15 residues pruned to eliminate duplicates Z: 20 34.240 2.200 0.800 0.704 0.947 0.737 CA 1.739 20 residues pruned to eliminate duplicates Z: 9 17.116 2.176 0.352 0.849 0.875 0.875 CA 1.742 9 residues pruned to eliminate duplicates Z: 38 22.951 2.243 0.615 0.322 0.865 0.568 CB 1.466 38 residues pruned to eliminate duplicates Z: 10 14.520 1.987 0.615 0.824 0.889 0.667 CA 1.282 10 residues pruned to eliminate duplicates Z: 69 44.059 2.316 0.909 0.398 0.853 0.647 CB 1.578 69 residues pruned to eliminate duplicates Z: 7 5.939 1.936 0.213 0.440 0.833 0.667 CB 1.318 8 residues pruned to eliminate duplicates Z: 32 35.565 2.502 0.880 0.463 0.839 0.548 CB 1.682 32 residues pruned to eliminate duplicates Z: 14 21.701 2.248 0.216 0.891 1.000 0.846 CB 1.583 14 residues pruned to eliminate duplicates Z: 52 42.295 2.310 0.812 0.456 0.863 0.549 CB 1.716 52 residues pruned to eliminate duplicates Z: 43 41.465 2.311 0.819 0.461 0.952 0.643 CB 1.663 43 residues pruned to eliminate duplicates Z: 16 21.197 2.206 0.958 0.450 0.800 0.533 CB 1.667 16 residues pruned to eliminate duplicates Z: 17 17.340 2.050 0.355 0.677 0.938 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 11 20.612 2.042 0.563 0.781 1.000 0.700 CB 1.593 11 residues pruned to eliminate duplicates Z: 16 36.665 2.322 0.720 0.872 1.000 0.867 CB 1.728 16 residues pruned to eliminate duplicates Z: 136 70.529 2.328 0.829 0.429 0.904 0.556 CB 1.697 136 residues pruned to eliminate duplicates Z: 6 6.355 1.828 0.055 0.666 0.800 0.400 CA 1.580 6 residues pruned to eliminate duplicates Z: 15 30.736 2.023 0.912 0.885 1.000 0.786 CB 1.534 15 residues pruned to eliminate duplicates Z: 15 8.473 1.879 0.484 0.370 0.643 0.357 N 1.453 15 residues pruned to eliminate duplicates Z: 12 14.204 1.811 0.301 0.861 0.909 0.909 CA 1.469 12 residues pruned to eliminate duplicates Z: 91 54.908 2.274 0.949 0.420 0.889 0.567 CB 1.596 91 residues pruned to eliminate duplicates Z: 6 8.139 2.092 0.450 0.716 0.600 0.600 CB 1.644 6 residues pruned to eliminate duplicates Z: 69 52.070 2.384 0.731 0.496 0.941 0.618 CB 1.633 69 residues pruned to eliminate duplicates Z: 14 33.209 2.281 0.610 0.929 1.000 0.846 CB 1.755 15 residues pruned to eliminate duplicates Z: 87 47.145 2.256 0.752 0.408 0.895 0.605 CB 1.583 87 residues pruned to eliminate duplicates Z: 10 9.020 1.673 0.474 0.541 1.000 0.667 CA 1.172 8 residues pruned to eliminate duplicates Z: 61 49.635 2.256 0.985 0.449 0.900 0.717 CB 1.675 68 residues pruned to eliminate duplicates Z: 44 34.988 2.279 0.760 0.444 0.837 0.535 CB 1.684 44 residues pruned to eliminate duplicates Z: 48 45.460 2.291 0.827 0.552 0.936 0.638 CB 1.608 48 residues pruned to eliminate duplicates Z: 34 23.116 2.202 0.920 0.288 0.788 0.515 CB 1.534 34 residues pruned to eliminate duplicates Z: 6 8.043 1.965 0.378 0.723 1.000 1.000 CA 1.086 6 residues pruned to eliminate duplicates Z: 51 44.218 2.269 0.916 0.439 0.960 0.700 CB 1.595 51 residues pruned to eliminate duplicates Z: 18 9.163 1.984 0.416 0.410 0.706 0.529 CB 1.232 18 residues pruned to eliminate duplicates Z: 69 68.348 2.404 1.063 0.496 0.956 0.706 CB 1.756 69 residues pruned to eliminate duplicates Z: 15 40.615 2.332 0.688 0.920 1.000 0.714 CB 1.943 15 residues pruned to eliminate duplicates Z: 17 41.694 2.217 1.033 0.875 0.938 0.750 CB 1.794 17 residues pruned to eliminate duplicates Z: 93 46.299 2.206 0.796 0.417 0.870 0.533 CB 1.527 93 residues pruned to eliminate duplicates Z: 72 47.873 2.281 0.851 0.405 0.915 0.606 CB 1.624 72 residues pruned to eliminate duplicates Z: 10 8.136 1.978 0.419 0.336 0.778 0.667 CA 1.486 10 residues pruned to eliminate duplicates Z: 13 15.645 1.757 0.376 0.888 1.000 0.917 CA 1.346 13 residues pruned to eliminate duplicates Z: 32 21.469 2.204 0.648 0.348 0.774 0.484 CB 1.618 32 residues pruned to eliminate duplicates Z: 15 9.904 1.908 0.413 0.475 0.857 0.500 CB 1.176 15 residues pruned to eliminate duplicates Z: 7 6.192 1.748 1.072 0.563 0.833 0.667 CB 0.788 Z: 13 16.397 1.709 0.622 0.850 1.000 0.750 CB 1.265 13 residues pruned to eliminate duplicates Z: 16 34.776 2.453 1.374 0.532 0.867 0.733 CB 1.724 16 residues pruned to eliminate duplicates Z: 11 17.539 1.955 0.490 0.914 1.000 0.900 CB 1.346 11 residues pruned to eliminate duplicates Z: 12 14.188 2.075 0.872 0.314 0.909 0.727 CB 1.489 12 residues pruned to eliminate duplicates Z: 30 41.117 2.297 0.889 0.600 0.966 0.655 CB 1.656 30 residues pruned to eliminate duplicates Z: 72 39.553 2.277 0.720 0.377 0.887 0.535 CB 1.540 72 residues pruned to eliminate duplicates Z: 68 54.289 2.373 0.870 0.445 0.896 0.642 CB 1.766 68 residues pruned to eliminate duplicates Z: 11 17.955 2.005 1.435 0.494 0.900 0.700 CB 1.300 11 residues pruned to eliminate duplicates Z: 6 11.938 1.973 0.972 0.690 0.800 0.600 CA 1.442 6 residues pruned to eliminate duplicates Z: 15 44.165 2.465 0.881 0.941 0.929 0.786 CB 1.902 15 residues pruned to eliminate duplicates Z: 62 48.725 2.349 0.900 0.419 0.918 0.656 CB 1.657 62 residues pruned to eliminate duplicates Z: 58 51.826 2.315 0.928 0.542 0.930 0.526 CB 1.587 58 residues pruned to eliminate duplicates Z: 7 4.912 1.909 0.454 0.469 1.000 0.500 CB 0.745 7 residues pruned to eliminate duplicates Z: 12 20.982 1.808 0.672 0.916 1.000 0.909 CB 1.479 12 residues pruned to eliminate duplicates Z: 10 6.379 1.686 0.705 0.286 0.778 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 13 35.619 2.358 0.810 0.939 1.000 0.917 CB 1.675 13 residues pruned to eliminate duplicates Z: 6 17.324 2.393 0.490 0.735 1.000 0.800 CA 1.759 6 residues pruned to eliminate duplicates Z: 54 42.286 2.295 0.859 0.398 0.906 0.604 CB 1.674 54 residues pruned to eliminate duplicates Z: 6 10.225 1.977 0.968 0.659 0.800 0.800 CB 1.268 6 residues pruned to eliminate duplicates Z: 87 53.458 2.362 0.821 0.404 0.872 0.593 CB 1.699 87 residues pruned to eliminate duplicates Z: 9 21.444 2.089 0.589 0.894 1.000 1.000 C 1.639 9 residues pruned to eliminate duplicates Z: 15 9.083 1.912 0.457 0.462 0.786 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 15 5.446 1.435 0.354 0.303 0.857 0.571 CB 1.089 15 residues pruned to eliminate duplicates Z: 9 17.512 2.183 1.311 0.530 0.750 0.625 CA 1.590 9 residues pruned to eliminate duplicates Z: 12 37.713 2.415 0.909 0.947 1.000 0.818 CB 1.705 12 residues pruned to eliminate duplicates Z: 30 41.162 2.344 0.780 0.623 0.931 0.621 CB 1.753 30 residues pruned to eliminate duplicates Z: 41 34.026 2.281 0.990 0.342 0.800 0.650 CB 1.761 41 residues pruned to eliminate duplicates Z: 9 12.078 1.921 0.843 0.570 0.875 0.625 CB 1.289 9 residues pruned to eliminate duplicates Z: 32 31.952 2.241 0.748 0.504 0.935 0.581 CB 1.560 32 residues pruned to eliminate duplicates Z: 9 17.905 2.252 0.936 0.431 1.000 0.750 CB 1.559 9 residues pruned to eliminate duplicates Z: 15 35.629 2.152 0.913 0.917 1.000 0.929 CB 1.632 15 residues pruned to eliminate duplicates Z: 7 22.197 2.419 1.067 0.768 1.000 0.833 CB 1.429 7 residues pruned to eliminate duplicates Z: 51 37.836 2.214 0.733 0.439 0.900 0.640 CB 1.651 51 residues pruned to eliminate duplicates Z: 17 26.720 2.130 0.547 0.830 1.000 0.750 CB 1.523 17 residues pruned to eliminate duplicates Z: 17 37.318 2.364 0.769 0.841 0.938 0.750 CB 1.775 17 residues pruned to eliminate duplicates Z: 7 12.708 2.168 0.372 0.558 1.000 0.667 CB 1.648 7 residues pruned to eliminate duplicates Z: 19 20.018 2.343 0.727 0.382 0.778 0.556 CB 1.699 19 residues pruned to eliminate duplicates Z: 15 45.875 2.390 1.188 0.930 0.929 0.357 CB 1.766 15 residues pruned to eliminate duplicates Z: 17 31.369 2.250 0.626 0.761 1.000 0.875 CB 1.699 17 residues pruned to eliminate duplicates Z: 10 16.137 1.959 0.447 0.913 1.000 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 67 42.149 2.221 0.746 0.468 0.879 0.652 CB 1.573 67 residues pruned to eliminate duplicates Z: 10 19.910 2.184 0.577 0.747 1.000 0.667 CB 1.546 10 residues pruned to eliminate duplicates Z: 35 30.857 2.249 0.827 0.440 0.853 0.441 CB 1.606 35 residues pruned to eliminate duplicates Z: 46 39.409 2.380 0.704 0.474 0.889 0.556 CB 1.672 46 residues pruned to eliminate duplicates Z: 32 33.753 2.319 0.599 0.574 0.935 0.548 CB 1.628 32 residues pruned to eliminate duplicates Z: 38 24.181 2.311 0.597 0.322 0.838 0.486 CB 1.564 38 residues pruned to eliminate duplicates Z: 13 44.158 2.475 1.351 0.635 1.000 0.667 CA 1.929 13 residues pruned to eliminate duplicates Z: 11 14.868 1.925 0.309 0.909 1.000 0.900 CB 1.324 11 residues pruned to eliminate duplicates Z: 7 7.968 1.759 0.475 0.670 1.000 0.667 CB 1.071 7 residues pruned to eliminate duplicates Z: 63 50.848 2.327 0.991 0.432 0.919 0.661 CB 1.627 63 residues pruned to eliminate duplicates Z: 10 8.283 1.832 0.365 0.457 0.889 0.667 CA 1.297 10 residues pruned to eliminate duplicates Z: 18 16.131 2.245 0.658 0.360 0.824 0.588 CB 1.483 18 residues pruned to eliminate duplicates Z: 14 41.658 2.259 1.134 0.911 1.000 0.846 CB 1.699 14 residues pruned to eliminate duplicates Z: 22 24.145 2.274 0.785 0.429 0.857 0.667 CB 1.630 22 residues pruned to eliminate duplicates Z: 20 39.662 2.366 0.797 0.712 1.000 0.842 CB 1.766 20 residues pruned to eliminate duplicates Z: 39 37.799 2.341 0.789 0.524 0.895 0.500 CB 1.597 39 residues pruned to eliminate duplicates Z: 8 31.099 2.442 1.407 0.543 1.000 0.857 C 1.917 8 residues pruned to eliminate duplicates Z: 16 22.217 2.263 1.094 0.496 0.800 0.533 CB 1.520 16 residues pruned to eliminate duplicates Z: 6 3.341 1.622 0.365 0.342 0.800 0.600 CB 1.001 Z: 50 51.081 2.440 0.910 0.528 0.857 0.612 CB 1.777 50 residues pruned to eliminate duplicates Z: 12 21.362 1.865 0.725 0.876 1.000 0.727 CB 1.456 12 residues pruned to eliminate duplicates Z: 6 7.053 1.705 0.502 0.439 1.000 0.600 CB 1.311 Z: 45 33.900 2.242 0.788 0.445 0.795 0.523 CB 1.696 45 residues pruned to eliminate duplicates Z: 15 26.223 2.098 0.725 0.851 0.929 0.857 CB 1.543 15 residues pruned to eliminate duplicates Z: 13 9.599 1.975 0.416 0.362 0.917 0.583 CB 1.254 14 residues pruned to eliminate duplicates Z: 15 46.912 2.576 1.538 0.659 0.929 0.929 CB 1.782 15 residues pruned to eliminate duplicates Z: 42 29.656 2.087 0.771 0.478 0.805 0.610 CA 1.592 42 residues pruned to eliminate duplicates Z: 7 6.864 1.801 0.378 0.724 0.833 0.667 CA 1.107 7 residues pruned to eliminate duplicates Z: 42 39.103 2.275 0.882 0.450 0.927 0.561 CB 1.618 42 residues pruned to eliminate duplicates Z: 54 41.958 2.272 0.903 0.416 0.887 0.642 CB 1.641 54 residues pruned to eliminate duplicates Z: 9 8.388 1.955 0.436 0.312 0.875 0.750 CA 1.488 9 residues pruned to eliminate duplicates Z: 11 24.872 1.969 0.884 0.909 1.000 0.800 CA 1.505 11 residues pruned to eliminate duplicates Z: 12 18.730 1.806 0.520 0.922 1.000 0.909 CB 1.447 12 residues pruned to eliminate duplicates Z: 20 16.192 2.069 0.734 0.311 0.842 0.474 CB 1.516 20 residues pruned to eliminate duplicates Z: 62 37.801 2.228 0.800 0.394 0.869 0.607 CB 1.553 62 residues pruned to eliminate duplicates Z: 10 5.460 1.508 0.865 0.358 0.667 0.667 CA 1.132 9 residues pruned to eliminate duplicates Z: 14 27.771 2.349 1.062 0.488 1.000 0.692 CB 1.609 14 residues pruned to eliminate duplicates Z: 42 40.350 2.331 0.866 0.456 0.927 0.634 CB 1.635 42 residues pruned to eliminate duplicates Z: 15 16.755 2.247 1.018 0.320 0.786 0.571 CB 1.533 15 residues pruned to eliminate duplicates Z: 13 17.947 2.057 0.346 0.861 0.917 0.833 CB 1.501 13 residues pruned to eliminate duplicates Z: 77 48.680 2.293 0.920 0.407 0.855 0.605 CB 1.635 113 residues pruned to eliminate duplicates Z: 24 35.673 2.214 0.951 0.646 0.913 0.783 CB 1.645 24 residues pruned to eliminate duplicates Z: 11 14.155 1.788 0.418 0.872 1.000 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 37 25.371 2.151 0.616 0.367 0.889 0.639 CB 1.579 37 residues pruned to eliminate duplicates Z: 34 37.097 2.213 0.673 0.602 0.909 0.727 CB 1.742 34 residues pruned to eliminate duplicates Z: 58 52.392 2.387 1.040 0.452 0.877 0.561 CB 1.706 58 residues pruned to eliminate duplicates Z: 11 5.633 1.857 0.255 0.278 0.700 0.500 CA 1.404 11 residues pruned to eliminate duplicates Z: 17 14.170 2.094 0.844 0.229 0.750 0.312 CA 1.678 17 residues pruned to eliminate duplicates Z: 31 35.316 2.350 0.868 0.472 0.867 0.733 CB 1.743 31 residues pruned to eliminate duplicates Z: 52 44.647 2.403 0.743 0.488 0.824 0.510 CB 1.834 52 residues pruned to eliminate duplicates Z: 21 31.914 2.252 0.559 0.665 1.000 0.850 CB 1.744 21 residues pruned to eliminate duplicates Z: 37 36.008 2.248 1.011 0.469 0.889 0.694 CB 1.541 37 residues pruned to eliminate duplicates Z: 10 19.434 1.969 0.539 0.900 1.000 0.889 CB 1.526 10 residues pruned to eliminate duplicates Z: 10 20.190 2.056 0.567 0.883 1.000 1.000 CA 1.510 10 residues pruned to eliminate duplicates Z: 13 35.672 2.278 0.904 0.949 1.000 0.917 CB 1.638 13 residues pruned to eliminate duplicates Z: 6 10.104 1.899 0.792 0.718 1.000 0.600 CA 1.090 6 residues pruned to eliminate duplicates Z: 9 4.986 1.993 0.227 0.412 0.750 0.500 CB 1.053 9 residues pruned to eliminate duplicates Z: 65 48.846 2.397 0.896 0.407 0.891 0.500 CB 1.664 65 residues pruned to eliminate duplicates Z: 17 30.462 2.350 0.576 0.837 0.875 0.625 CB 1.757 17 residues pruned to eliminate duplicates Z: 23 45.639 2.513 1.254 0.599 0.864 0.636 CB 1.809 23 residues pruned to eliminate duplicates Z: 7 11.035 2.028 0.783 0.691 1.000 0.833 CB 1.046 7 residues pruned to eliminate duplicates Z: 25 24.694 2.084 0.757 0.456 0.958 0.792 CB 1.502 25 residues pruned to eliminate duplicates Z: 45 38.576 2.263 0.877 0.446 0.909 0.659 CB 1.592 45 residues pruned to eliminate duplicates Z: 28 34.160 2.325 0.736 0.566 0.963 0.741 CB 1.587 28 residues pruned to eliminate duplicates Z: 8 4.129 1.519 0.701 0.382 0.714 0.286 N 0.959 Z: 18 20.791 2.093 0.797 0.437 0.882 0.588 CB 1.622 18 residues pruned to eliminate duplicates Z: 14 6.936 1.723 0.197 0.470 0.846 0.692 CB 1.136 14 residues pruned to eliminate duplicates Z: 28 24.460 2.058 0.690 0.500 0.852 0.667 CB 1.589 27 residues pruned to eliminate duplicates Z: 6 9.029 1.809 0.649 0.655 1.000 0.600 N 1.172 Z: 16 31.507 2.286 0.408 0.885 1.000 0.800 CB 1.824 16 residues pruned to eliminate duplicates Z: 17 23.934 2.302 1.163 0.372 0.875 0.438 CB 1.575 17 residues pruned to eliminate duplicates Z: 73 50.099 2.317 0.841 0.433 0.875 0.611 CB 1.696 73 residues pruned to eliminate duplicates Z: 67 44.102 2.284 0.860 0.405 0.894 0.591 CB 1.579 67 residues pruned to eliminate duplicates Z: 64 47.335 2.262 0.811 0.446 0.937 0.635 CB 1.642 64 residues pruned to eliminate duplicates Z: 18 27.612 2.195 1.062 0.531 0.882 0.706 CA 1.626 18 residues pruned to eliminate duplicates Z: 13 22.592 2.069 0.852 0.768 0.917 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 60 50.673 2.339 1.011 0.433 0.881 0.627 CB 1.705 60 residues pruned to eliminate duplicates Z: 17 31.632 2.151 0.928 0.844 0.938 0.500 CB 1.513 17 residues pruned to eliminate duplicates Z: 10 16.718 1.951 0.371 0.904 1.000 0.778 CB 1.484 10 residues pruned to eliminate duplicates Z: 14 25.634 2.060 0.652 0.788 1.000 0.923 CA 1.622 14 residues pruned to eliminate duplicates Z: 22 27.128 2.107 0.770 0.551 0.952 0.810 CB 1.587 43 residues pruned to eliminate duplicates Z: 14 22.662 2.174 0.857 0.421 1.000 0.846 CA 1.690 14 residues pruned to eliminate duplicates Z: 11 23.827 2.308 1.079 0.496 0.900 0.700 CB 1.751 11 residues pruned to eliminate duplicates Z: 20 37.512 2.404 0.733 0.667 1.000 0.842 CB 1.770 20 residues pruned to eliminate duplicates Z: 15 12.611 2.070 0.560 0.365 0.857 0.571 CB 1.409 15 residues pruned to eliminate duplicates Z: 50 50.716 2.417 0.906 0.509 0.898 0.551 CB 1.735 50 residues pruned to eliminate duplicates Z: 64 54.165 2.287 0.987 0.449 0.921 0.603 CB 1.720 64 residues pruned to eliminate duplicates Z: 31 49.828 2.406 0.941 0.637 0.933 0.700 CB 1.835 31 residues pruned to eliminate duplicates Z: 19 18.906 2.117 0.634 0.458 0.833 0.611 CB 1.613 19 residues pruned to eliminate duplicates Z: 16 9.566 1.667 0.557 0.535 0.800 0.600 CB 1.149 17 residues pruned to eliminate duplicates Z: 61 51.111 2.354 0.975 0.489 0.850 0.567 CB 1.689 61 residues pruned to eliminate duplicates Z: 12 39.516 2.501 1.152 0.736 0.909 0.818 CB 1.970 12 residues pruned to eliminate duplicates Z: 7 12.729 2.216 0.900 0.310 1.000 0.833 CA 1.523 Z: 15 16.592 2.341 0.796 0.349 0.786 0.500 CB 1.582 15 residues pruned to eliminate duplicates Z: 21 31.287 2.368 0.962 0.519 0.900 0.450 CB 1.641 21 residues pruned to eliminate duplicates Z: 10 19.580 2.349 0.771 0.512 0.889 0.667 CA 1.744 10 residues pruned to eliminate duplicates Z: 60 53.871 2.355 0.928 0.461 0.932 0.695 CB 1.724 67 residues pruned to eliminate duplicates Z: 6 2.676 1.773 1.255 0.551 0.800 0.800 CB 0.356 Z: 31 24.854 2.298 0.739 0.293 0.867 0.600 CB 1.653 31 residues pruned to eliminate duplicates Z: 56 43.644 2.227 0.881 0.534 0.909 0.564 CB 1.494 56 residues pruned to eliminate duplicates Z: 61 53.274 2.395 1.080 0.446 0.883 0.550 CB 1.652 61 residues pruned to eliminate duplicates Z: 14 32.675 2.151 0.905 0.937 1.000 1.000 CB 1.539 15 residues pruned to eliminate duplicates Z: 20 22.465 2.197 0.628 0.484 0.947 0.579 CB 1.545 20 residues pruned to eliminate duplicates Z: 6 5.534 1.640 -0.073 0.689 1.000 0.800 CA 1.369 6 residues pruned to eliminate duplicates Z: 13 31.242 2.356 0.619 0.898 1.000 1.000 CB 1.692 13 residues pruned to eliminate duplicates Z: 10 23.057 2.316 0.936 0.406 1.000 0.667 CB 1.891 10 residues pruned to eliminate duplicates Z: 41 38.722 2.319 0.760 0.515 0.850 0.500 CB 1.739 41 residues pruned to eliminate duplicates Z: 48 45.511 2.279 1.045 0.449 0.915 0.681 CB 1.640 48 residues pruned to eliminate duplicates Z: 48 40.108 2.276 0.830 0.430 0.894 0.702 CB 1.691 48 residues pruned to eliminate duplicates Z: 7 2.887 1.268 -0.088 0.435 1.000 0.500 O 1.090 Z: 6 4.610 1.725 0.185 0.670 0.800 0.800 CA 1.077 6 residues pruned to eliminate duplicates Z: 24 17.864 2.204 0.660 0.340 0.783 0.478 CB 1.549 24 residues pruned to eliminate duplicates Z: 7 2.254 1.610 0.069 0.239 0.667 0.500 CB 1.085 Z: 16 23.229 2.335 0.548 0.493 0.933 0.733 CB 1.790 16 residues pruned to eliminate duplicates Z: 50 45.755 2.301 0.892 0.431 0.939 0.653 CB 1.717 50 residues pruned to eliminate duplicates Z: 48 50.298 2.348 1.060 0.448 0.936 0.723 CB 1.708 48 residues pruned to eliminate duplicates Z: 58 56.185 2.343 0.805 0.555 0.947 0.684 CB 1.760 58 residues pruned to eliminate duplicates Z: 85 44.659 2.321 0.761 0.339 0.869 0.583 CB 1.636 85 residues pruned to eliminate duplicates Z: 84 54.209 2.250 0.914 0.461 0.916 0.566 CB 1.571 84 residues pruned to eliminate duplicates Z: 22 27.336 2.488 0.960 0.374 0.762 0.571 CB 1.836 22 residues pruned to eliminate duplicates Z: 32 31.193 2.205 1.025 0.391 0.806 0.677 CA 1.746 32 residues pruned to eliminate duplicates Z: 7 11.608 2.267 1.098 0.182 1.000 0.500 CB 1.461 7 residues pruned to eliminate duplicates Z: 11 13.609 1.778 0.602 0.805 0.900 0.600 CB 1.287 11 residues pruned to eliminate duplicates Z: 14 17.578 2.167 0.782 0.392 1.000 0.769 CA 1.415 14 residues pruned to eliminate duplicates Z: 43 46.103 2.416 0.717 0.585 0.929 0.738 CB 1.703 43 residues pruned to eliminate duplicates Z: 44 45.240 2.317 1.035 0.472 0.907 0.628 CB 1.659 44 residues pruned to eliminate duplicates Z: 13 19.742 2.186 0.148 0.921 1.000 0.917 CB 1.598 13 residues pruned to eliminate duplicates Z: 18 26.353 2.201 1.411 0.442 0.706 0.529 CB 1.811 18 residues pruned to eliminate duplicates Z: 6 2.050 1.528 0.203 0.276 0.800 0.400 CB 0.803 Z: 22 32.534 2.165 0.638 0.669 1.000 0.857 CB 1.713 22 residues pruned to eliminate duplicates Z: 15 36.676 2.119 1.030 0.905 1.000 0.857 CB 1.622 15 residues pruned to eliminate duplicates Z: 35 35.335 2.261 0.905 0.517 0.912 0.529 CB 1.517 35 residues pruned to eliminate duplicates Z: 17 13.408 1.893 0.825 0.265 0.938 0.438 CB 1.352 17 residues pruned to eliminate duplicates Z: 22 27.571 2.258 0.504 0.655 0.952 0.857 CB 1.611 22 residues pruned to eliminate duplicates Z: 48 43.259 2.322 0.922 0.430 0.936 0.638 CB 1.625 48 residues pruned to eliminate duplicates Z: 68 54.099 2.479 0.871 0.455 0.866 0.582 CB 1.724 68 residues pruned to eliminate duplicates Z: 37 42.218 2.440 0.685 0.540 0.944 0.694 CB 1.743 36 residues pruned to eliminate duplicates Z: 8 12.474 2.001 0.268 0.830 1.000 0.571 CA 1.397 8 residues pruned to eliminate duplicates Z: 8 5.250 1.673 0.359 0.530 1.000 0.571 CB 0.847 Z: 17 30.867 2.332 1.364 0.359 0.938 0.625 CB 1.739 17 residues pruned to eliminate duplicates Z: 6 9.011 1.965 1.267 0.436 0.800 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 7 5.382 1.851 0.284 0.355 0.833 0.667 CB 1.297 7 residues pruned to eliminate duplicates Z: 18 30.981 2.352 1.082 0.500 0.824 0.706 CB 1.864 18 residues pruned to eliminate duplicates 6 1.695 1.393 0.161 0.425 0.800 0.600 CB 0.633 ? Z: 13 48.950 2.283 1.395 0.929 1.000 0.667 CA 1.809 13 residues pruned to eliminate duplicates Z: 12 8.654 1.911 0.752 0.303 0.727 0.455 CB 1.335 Z: 16 20.672 1.971 0.627 0.748 1.000 0.733 CB 1.333 16 residues pruned to eliminate duplicates Z: 31 37.598 2.223 0.840 0.525 0.933 0.600 CB 1.755 31 residues pruned to eliminate duplicates Z: 11 14.846 2.212 0.526 0.486 0.900 0.400 CB 1.568 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 17.255 2.162 0.609 0.477 0.867 0.667 CA 1.513 12 residues pruned to eliminate duplicates Z: 6 4.466 1.621 0.800 0.315 1.000 0.800 N 0.840 6 residues pruned to eliminate duplicates Z: 17 19.769 2.154 0.736 0.463 0.812 0.688 CA 1.689 15 residues pruned to eliminate duplicates Z: 6 11.066 2.182 0.491 0.461 1.000 0.600 CA 1.582 6 residues pruned to eliminate duplicates Z: 30 17.358 1.926 0.745 0.346 0.759 0.517 CA 1.495 30 residues pruned to eliminate duplicates Z: 20 14.866 1.987 0.535 0.407 0.842 0.632 CA 1.465 20 residues pruned to eliminate duplicates Z: 16 16.218 2.098 0.622 0.455 0.867 0.667 CA 1.487 16 residues pruned to eliminate duplicates Z: 15 18.956 2.216 0.791 0.420 0.857 0.643 CA 1.617 15 residues pruned to eliminate duplicates Z: 15 15.717 2.164 0.848 0.389 0.786 0.714 CA 1.503 15 residues pruned to eliminate duplicates Z: 26 19.245 1.962 0.589 0.440 0.880 0.600 CA 1.492 26 residues pruned to eliminate duplicates Z: 17 18.346 2.089 0.720 0.445 0.875 0.625 CA 1.543 17 residues pruned to eliminate duplicates Z: 20 15.721 1.988 0.605 0.376 0.895 0.526 CA 1.441 20 residues pruned to eliminate duplicates Z: 27 19.727 1.866 0.553 0.588 0.923 0.577 CA 1.330 27 residues pruned to eliminate duplicates Z: 11 9.437 2.030 0.304 0.424 0.800 0.300 CB 1.525 11 residues pruned to eliminate duplicates Z: 31 21.827 1.872 0.448 0.555 0.967 0.600 CB 1.441 31 residues pruned to eliminate duplicates Z: 14 10.598 1.877 0.512 0.408 0.923 0.538 CA 1.236 14 residues pruned to eliminate duplicates Z: 16 8.660 1.934 0.346 0.338 0.867 0.467 CB 1.183 16 residues pruned to eliminate duplicates Z: 16 9.406 1.950 0.467 0.374 0.800 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 14 9.742 1.752 0.345 0.478 0.923 0.462 CB 1.270 14 residues pruned to eliminate duplicates Z: 15 11.655 1.936 0.552 0.369 0.857 0.429 CB 1.392 15 residues pruned to eliminate duplicates Z: 16 11.706 1.968 0.344 0.453 0.800 0.467 CB 1.499 16 residues pruned to eliminate duplicates Z: 16 9.486 1.753 0.581 0.414 0.867 0.600 CB 1.116 16 residues pruned to eliminate duplicates Z: 15 14.053 1.966 0.848 0.441 0.857 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 21 28.329 2.165 1.102 0.484 0.900 0.650 CB 1.573 21 residues pruned to eliminate duplicates Z: 89 52.011 2.230 0.828 0.466 0.898 0.648 CB 1.569 89 residues pruned to eliminate duplicates Z: 21 34.191 2.322 1.122 0.493 0.950 0.650 CA 1.645 21 residues pruned to eliminate duplicates Z: 15 18.976 2.115 1.031 0.510 0.786 0.714 CB 1.488 15 residues pruned to eliminate duplicates Z: 106 57.361 2.235 0.815 0.468 0.895 0.667 CB 1.593 106 residues pruned to eliminate duplicates Z: 31 36.289 2.188 0.969 0.591 0.867 0.733 CB 1.626 31 residues pruned to eliminate duplicates Z: 19 22.006 2.227 0.828 0.486 0.889 0.833 CB 1.454 19 residues pruned to eliminate duplicates Z: 32 38.628 2.190 0.913 0.617 0.903 0.677 CB 1.642 32 residues pruned to eliminate duplicates Z: 34 40.061 2.182 0.978 0.618 0.909 0.788 CB 1.589 34 residues pruned to eliminate duplicates Z: 90 52.874 2.267 0.834 0.447 0.876 0.562 CB 1.624 90 residues pruned to eliminate duplicates Z: 22 28.887 2.102 0.834 0.622 0.905 0.762 CB 1.610 22 residues pruned to eliminate duplicates Z: 32 37.248 2.165 0.912 0.635 0.871 0.774 CB 1.635 32 residues pruned to eliminate duplicates Z: 28 28.134 2.134 0.898 0.506 0.815 0.630 CB 1.631 28 residues pruned to eliminate duplicates Z: 18 17.113 1.991 1.025 0.395 0.765 0.529 CA 1.504 18 residues pruned to eliminate duplicates Z: 22 29.851 2.114 0.837 0.626 0.905 0.667 CB 1.646 22 residues pruned to eliminate duplicates Z: 87 49.773 2.277 0.744 0.438 0.895 0.535 CB 1.608 87 residues pruned to eliminate duplicates Z: 67 49.263 2.257 0.789 0.487 0.939 0.652 CB 1.620 67 residues pruned to eliminate duplicates Z: 32 34.052 2.137 0.916 0.576 0.903 0.710 CB 1.538 32 residues pruned to eliminate duplicates Z: 23 32.526 2.117 0.850 0.692 0.909 0.773 CB 1.634 23 residues pruned to eliminate duplicates Z: 22 34.426 2.158 0.746 0.715 0.952 0.810 CB 1.723 22 residues pruned to eliminate duplicates Z: 30 40.333 2.247 0.903 0.635 0.931 0.759 CB 1.658 30 residues pruned to eliminate duplicates Z: 44 39.728 2.177 0.833 0.504 0.884 0.698 CB 1.711 44 residues pruned to eliminate duplicates Z: 21 25.118 2.102 0.972 0.517 0.850 0.600 CB 1.567 21 residues pruned to eliminate duplicates Z: 21 24.977 2.046 0.911 0.517 0.850 0.600 CB 1.652 21 residues pruned to eliminate duplicates Z: 134 70.825 2.357 0.885 0.418 0.872 0.564 CB 1.727 134 residues pruned to eliminate duplicates Z: 88 47.468 2.248 0.778 0.407 0.874 0.586 CB 1.607 88 residues pruned to eliminate duplicates Z: 91 56.383 2.273 0.912 0.459 0.900 0.600 CB 1.584 91 residues pruned to eliminate duplicates Z: 20 16.859 2.081 0.774 0.391 0.842 0.632 CB 1.397 20 residues pruned to eliminate duplicates Z: 9 5.498 2.092 1.054 0.158 0.750 0.500 CB 0.917 9 residues pruned to eliminate duplicates Z: 72 42.159 2.338 0.812 0.381 0.817 0.577 CB 1.640 72 residues pruned to eliminate duplicates Z: 52 38.657 2.284 0.895 0.398 0.882 0.569 CB 1.579 52 residues pruned to eliminate duplicates Z: 74 44.681 2.302 0.833 0.383 0.890 0.616 CB 1.576 74 residues pruned to eliminate duplicates Z: 68 46.222 2.331 0.879 0.404 0.881 0.582 CB 1.619 68 residues pruned to eliminate duplicates Z: 49 41.689 2.280 0.853 0.442 0.917 0.688 CB 1.650 49 residues pruned to eliminate duplicates Z: 101 60.069 2.356 0.768 0.439 0.920 0.630 CB 1.670 101 residues pruned to eliminate duplicates Z: 63 45.632 2.269 0.900 0.404 0.903 0.581 CB 1.647 63 residues pruned to eliminate duplicates Z: 15 23.799 2.367 1.105 0.377 0.929 0.714 CB 1.567 15 residues pruned to eliminate duplicates Z: 49 42.139 2.297 0.865 0.435 0.917 0.625 CB 1.657 49 residues pruned to eliminate duplicates Z: 56 39.434 2.248 0.881 0.376 0.891 0.636 CB 1.612 56 residues pruned to eliminate duplicates Z: 80 52.792 2.279 0.825 0.476 0.911 0.557 CB 1.604 80 residues pruned to eliminate duplicates Z: 102 53.527 2.231 0.815 0.441 0.861 0.644 CB 1.622 102 residues pruned to eliminate duplicates Z: 73 43.787 2.289 0.786 0.396 0.875 0.653 CB 1.611 73 residues pruned to eliminate duplicates Z: 36 43.189 2.342 0.854 0.511 0.971 0.686 CB 1.712 36 residues pruned to eliminate duplicates Z: 75 47.797 2.307 0.759 0.414 0.905 0.635 CB 1.655 75 residues pruned to eliminate duplicates Z: 50 41.553 2.344 0.787 0.429 0.898 0.592 CB 1.698 50 residues pruned to eliminate duplicates Z: 65 44.868 2.298 0.865 0.421 0.906 0.578 CB 1.568 65 residues pruned to eliminate duplicates Z: 76 43.687 2.283 0.843 0.393 0.867 0.613 CB 1.549 76 residues pruned to eliminate duplicates Z: 75 40.502 2.280 0.741 0.373 0.865 0.568 CB 1.571 75 residues pruned to eliminate duplicates Z: 83 45.337 2.293 0.743 0.392 0.878 0.610 CB 1.600 83 residues pruned to eliminate duplicates Z: 70 49.762 2.348 0.864 0.415 0.913 0.638 CB 1.639 70 residues pruned to eliminate duplicates Z: 64 49.898 2.252 0.828 0.526 0.952 0.667 CB 1.563 64 residues pruned to eliminate duplicates Z: 91 56.472 2.255 0.855 0.425 0.911 0.678 CB 1.688 91 residues pruned to eliminate duplicates Z: 70 49.708 2.354 0.913 0.394 0.899 0.565 CB 1.655 70 residues pruned to eliminate duplicates Z: 110 64.329 2.368 0.873 0.423 0.872 0.560 CB 1.728 110 residues pruned to eliminate duplicates Z: 53 43.187 2.322 0.858 0.406 0.923 0.692 CB 1.660 53 residues pruned to eliminate duplicates Z: 68 44.915 2.325 0.908 0.382 0.881 0.567 CB 1.593 68 residues pruned to eliminate duplicates Z: 43 35.584 2.234 0.811 0.463 0.952 0.643 CB 1.479 43 residues pruned to eliminate duplicates Z: 83 49.876 2.270 0.907 0.440 0.854 0.659 CB 1.585 83 residues pruned to eliminate duplicates Z: 55 37.940 2.271 0.787 0.376 0.926 0.630 CB 1.569 55 residues pruned to eliminate duplicates Z: 97 51.648 2.217 0.894 0.422 0.875 0.573 CB 1.557 97 residues pruned to eliminate duplicates Z: 53 41.101 2.311 0.841 0.381 0.942 0.596 CB 1.613 53 residues pruned to eliminate duplicates Z: 50 41.773 2.279 0.906 0.432 0.898 0.653 CB 1.642 50 residues pruned to eliminate duplicates Z: 53 42.957 2.313 0.905 0.411 0.904 0.596 CB 1.642 53 residues pruned to eliminate duplicates Z: 85 48.646 2.276 0.849 0.425 0.869 0.548 CB 1.569 85 residues pruned to eliminate duplicates Z: 52 36.774 2.200 0.850 0.420 0.882 0.608 CB 1.558 52 residues pruned to eliminate duplicates Z: 70 45.993 2.232 0.852 0.437 0.913 0.551 CB 1.566 70 residues pruned to eliminate duplicates Z: 75 40.429 2.266 0.782 0.363 0.878 0.595 CB 1.535 75 residues pruned to eliminate duplicates Z: 71 43.293 2.323 0.872 0.373 0.857 0.614 CB 1.589 71 residues pruned to eliminate duplicates Z: 64 40.663 2.319 0.827 0.405 0.857 0.619 CB 1.559 64 residues pruned to eliminate duplicates Z: 68 43.243 2.318 0.905 0.358 0.866 0.597 CB 1.610 68 residues pruned to eliminate duplicates Z: 93 57.507 2.282 0.953 0.454 0.880 0.565 CB 1.601 93 residues pruned to eliminate duplicates Z: 86 48.790 2.265 0.866 0.390 0.894 0.612 CB 1.573 86 residues pruned to eliminate duplicates Z: 72 46.480 2.335 0.906 0.391 0.873 0.648 CB 1.593 72 residues pruned to eliminate duplicates Z: 72 40.894 2.301 0.870 0.370 0.831 0.606 CB 1.561 72 residues pruned to eliminate duplicates Z: 83 51.624 2.283 0.892 0.448 0.878 0.622 CB 1.586 83 residues pruned to eliminate duplicates Z: 73 46.592 2.311 0.914 0.390 0.889 0.542 CB 1.569 73 residues pruned to eliminate duplicates Z: 67 43.852 2.275 0.978 0.388 0.848 0.530 CB 1.593 67 residues pruned to eliminate duplicates Z: 74 48.715 2.302 0.893 0.400 0.918 0.603 CB 1.584 74 residues pruned to eliminate duplicates Z: 36 26.421 2.284 0.704 0.329 0.886 0.629 CB 1.562 36 residues pruned to eliminate duplicates Z: 35 28.479 2.257 0.823 0.366 0.882 0.647 CB 1.554 35 residues pruned to eliminate duplicates Z: 68 50.584 2.354 0.920 0.424 0.896 0.522 CB 1.653 68 residues pruned to eliminate duplicates Z: 69 39.452 2.213 0.892 0.353 0.838 0.500 CB 1.597 69 residues pruned to eliminate duplicates Z: 71 44.704 2.330 0.833 0.384 0.886 0.657 CB 1.598 71 residues pruned to eliminate duplicates Z: 71 44.434 2.288 0.904 0.399 0.857 0.614 CB 1.583 71 residues pruned to eliminate duplicates Z: 107 61.225 2.270 0.986 0.456 0.887 0.660 CB 1.556 107 residues pruned to eliminate duplicates Z: 66 42.094 2.322 0.865 0.365 0.877 0.600 CB 1.589 66 residues pruned to eliminate duplicates Z: 80 53.777 2.307 0.921 0.418 0.886 0.646 CB 1.678 80 residues pruned to eliminate duplicates Z: 69 46.997 2.314 0.878 0.392 0.912 0.618 CB 1.612 69 residues pruned to eliminate duplicates Z: 26 20.356 2.241 0.818 0.267 0.840 0.400 CB 1.550 26 residues pruned to eliminate duplicates Z: 34 27.594 2.315 0.841 0.310 0.879 0.667 CB 1.585 34 residues pruned to eliminate duplicates Z: 10 9.780 2.059 1.032 0.314 0.778 0.444 CB 1.231 10 residues pruned to eliminate duplicates Z: 16 10.043 2.035 0.838 0.315 0.667 0.533 CB 1.275 16 residues pruned to eliminate duplicates Z: 74 47.188 2.336 0.835 0.407 0.877 0.589 CB 1.620 74 residues pruned to eliminate duplicates Z: 9 13.427 2.281 0.761 0.366 0.875 0.500 CB 1.559 9 residues pruned to eliminate duplicates Z: 71 52.412 2.327 0.981 0.418 0.914 0.629 CB 1.619 71 residues pruned to eliminate duplicates Z: 9 9.563 2.247 0.660 0.503 0.625 0.500 CA 1.446 9 residues pruned to eliminate duplicates Z: 54 47.725 2.434 1.006 0.507 0.774 0.528 CB 1.722 54 residues pruned to eliminate duplicates Z: 9 12.004 2.130 0.305 0.590 0.875 0.375 CB 1.601 9 residues pruned to eliminate duplicates Z: 25 28.772 2.423 1.001 0.306 0.875 0.417 CB 1.716 25 residues pruned to eliminate duplicates Z: 78 57.776 2.426 0.900 0.462 0.831 0.571 CB 1.787 78 residues pruned to eliminate duplicates Z: 25 22.340 2.223 0.823 0.301 0.833 0.500 CA 1.687 25 residues pruned to eliminate duplicates Z: 65 62.619 2.499 0.966 0.464 0.906 0.609 CB 1.824 65 residues pruned to eliminate duplicates Z: 69 54.331 2.343 0.923 0.515 0.868 0.574 CB 1.661 69 residues pruned to eliminate duplicates Z: 26 23.048 2.302 0.784 0.281 0.840 0.400 CB 1.710 26 residues pruned to eliminate duplicates Z: 12 15.512 2.314 1.120 0.286 0.727 0.636 CB 1.668 12 residues pruned to eliminate duplicates Z: 34 29.140 2.366 0.753 0.369 0.788 0.424 CB 1.786 34 residues pruned to eliminate duplicates Z: 42 41.915 2.377 0.954 0.401 0.878 0.488 CB 1.781 42 residues pruned to eliminate duplicates Z: 20 28.383 2.466 1.072 0.323 0.842 0.579 CB 1.839 20 residues pruned to eliminate duplicates Z: 19 39.735 2.595 1.249 0.410 0.889 0.444 CB 1.985 19 residues pruned to eliminate duplicates Z: 27 29.966 2.353 0.948 0.425 0.846 0.654 CB 1.638 27 residues pruned to eliminate duplicates Z: 49 52.510 2.460 0.903 0.476 0.917 0.542 CB 1.810 49 residues pruned to eliminate duplicates Z: 45 48.784 2.404 0.901 0.488 0.886 0.545 CB 1.837 45 residues pruned to eliminate duplicates Z: 23 29.981 2.481 0.959 0.367 0.818 0.455 CB 1.854 23 residues pruned to eliminate duplicates Z: 12 7.872 2.055 0.717 0.165 0.636 0.182 CA 1.589 12 residues pruned to eliminate duplicates Z: 27 27.821 2.324 0.906 0.389 0.808 0.538 CB 1.715 27 residues pruned to eliminate duplicates Z: 45 40.192 2.379 0.838 0.441 0.818 0.545 CB 1.800 45 residues pruned to eliminate duplicates Z: 80 65.316 2.435 0.867 0.486 0.911 0.557 CB 1.798 80 residues pruned to eliminate duplicates Z: 32 40.127 2.332 0.863 0.575 0.871 0.484 CB 1.772 32 residues pruned to eliminate duplicates Z: 61 57.042 2.413 0.848 0.544 0.917 0.667 CB 1.725 61 residues pruned to eliminate duplicates Z: 62 63.550 2.514 1.094 0.457 0.885 0.541 CB 1.826 62 residues pruned to eliminate duplicates Z: 61 48.331 2.405 0.904 0.426 0.850 0.517 CB 1.730 61 residues pruned to eliminate duplicates Z: 61 59.004 2.484 0.761 0.549 0.933 0.683 CB 1.778 61 residues pruned to eliminate duplicates Z: 13 22.941 2.405 0.811 0.529 0.833 0.417 CB 1.773 13 residues pruned to eliminate duplicates Z: 39 45.044 2.407 0.865 0.528 0.921 0.632 CB 1.719 39 residues pruned to eliminate duplicates Z: 44 50.919 2.446 0.904 0.490 0.884 0.581 CB 1.905 44 residues pruned to eliminate duplicates Z: 20 21.932 2.271 0.920 0.407 0.895 0.421 CB 1.422 20 residues pruned to eliminate duplicates Z: 33 48.234 2.486 0.844 0.593 0.938 0.656 CB 1.815 33 residues pruned to eliminate duplicates Z: 57 63.519 2.491 0.808 0.613 0.964 0.679 CB 1.756 57 residues pruned to eliminate duplicates Z: 80 67.050 2.449 0.870 0.517 0.911 0.620 CB 1.778 80 residues pruned to eliminate duplicates Z: 80 64.827 2.435 0.884 0.533 0.911 0.696 CB 1.688 80 residues pruned to eliminate duplicates Z: 51 59.474 2.478 1.038 0.529 0.900 0.540 CB 1.799 51 residues pruned to eliminate duplicates Z: 57 63.301 2.477 0.917 0.573 0.946 0.625 CB 1.755 57 residues pruned to eliminate duplicates Z: 77 75.108 2.500 1.002 0.523 0.934 0.645 CB 1.801 77 residues pruned to eliminate duplicates Z: 31 48.989 2.355 0.930 0.620 1.000 0.633 CB 1.758 31 residues pruned to eliminate duplicates Z: 47 54.864 2.442 0.936 0.505 0.935 0.522 CB 1.822 47 residues pruned to eliminate duplicates Z: 29 51.051 2.433 1.001 0.647 0.964 0.536 CB 1.791 29 residues pruned to eliminate duplicates Z: 37 54.311 2.512 0.963 0.573 0.944 0.667 CB 1.811 37 residues pruned to eliminate duplicates Z: 56 62.612 2.483 0.859 0.585 0.945 0.655 CB 1.783 56 residues pruned to eliminate duplicates Z: 39 50.339 2.432 0.963 0.534 0.921 0.447 CB 1.797 39 residues pruned to eliminate duplicates Z: 44 49.570 2.470 0.874 0.509 0.930 0.558 CB 1.740 44 residues pruned to eliminate duplicates Z: 51 55.647 2.457 1.008 0.495 0.900 0.540 CB 1.782 51 residues pruned to eliminate duplicates Z: 57 63.984 2.486 0.860 0.592 0.964 0.696 CB 1.757 57 residues pruned to eliminate duplicates Z: 50 49.872 2.269 0.784 0.657 0.918 0.592 CB 1.657 50 residues pruned to eliminate duplicates Z: 120 75.343 2.413 0.978 0.429 0.908 0.546 CB 1.717 120 residues pruned to eliminate duplicates Z: 55 56.137 2.465 0.851 0.540 0.963 0.648 CB 1.672 55 residues pruned to eliminate duplicates Z: 153 82.513 2.346 0.911 0.473 0.921 0.586 CB 1.666 153 residues pruned to eliminate duplicates Z: 6 8.554 2.210 0.636 0.432 1.000 0.400 CA 1.135 6 residues pruned to eliminate duplicates Z: 32 37.326 2.431 0.737 0.524 0.968 0.710 CB 1.603 32 residues pruned to eliminate duplicates Z: 70 57.562 2.411 0.774 0.545 0.928 0.638 CB 1.671 70 residues pruned to eliminate duplicates Z: 33 42.481 2.401 1.018 0.499 0.969 0.781 CB 1.602 33 residues pruned to eliminate duplicates Z: 13 13.562 2.359 1.007 0.314 0.750 0.583 CB 1.355 13 residues pruned to eliminate duplicates Z: 32 41.940 2.431 0.900 0.537 0.968 0.742 CB 1.624 32 residues pruned to eliminate duplicates Z: 31 44.476 2.462 0.938 0.554 0.967 0.667 CB 1.669 31 residues pruned to eliminate duplicates Z: 18 28.258 2.271 0.401 0.732 1.000 0.882 CA 1.749 18 residues pruned to eliminate duplicates Z: 31 38.514 2.463 0.792 0.535 0.933 0.733 CB 1.649 31 residues pruned to eliminate duplicates Z: 21 38.694 2.321 0.989 0.679 1.000 0.650 CB 1.590 21 residues pruned to eliminate duplicates Z: 54 59.004 2.437 0.939 0.568 0.962 0.604 CB 1.669 54 residues pruned to eliminate duplicates Z: 23 33.582 2.270 0.996 0.619 0.909 0.591 CB 1.553 23 residues pruned to eliminate duplicates Z: 32 44.340 2.417 1.079 0.543 0.968 0.806 CB 1.570 32 residues pruned to eliminate duplicates Z: 14 37.193 2.249 0.978 0.911 1.000 0.692 CB 1.644 14 residues pruned to eliminate duplicates Z: 32 42.263 2.394 1.041 0.533 0.968 0.645 CB 1.554 32 residues pruned to eliminate duplicates Z: 15 28.888 2.124 0.830 0.891 0.929 0.786 CB 1.538 15 residues pruned to eliminate duplicates Z: 20 41.376 2.457 1.147 0.681 0.947 0.632 CB 1.609 21 residues pruned to eliminate duplicates Z: 16 31.924 2.100 0.880 0.907 0.933 0.733 CB 1.590 16 residues pruned to eliminate duplicates Z: 32 43.461 2.407 1.113 0.541 0.935 0.645 CB 1.577 31 residues pruned to eliminate duplicates Z: 15 36.921 2.161 0.986 0.892 1.000 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 77 70.509 2.458 1.047 0.511 0.921 0.592 CB 1.727 77 residues pruned to eliminate duplicates Z: 16 24.689 2.352 0.724 0.509 0.933 0.533 CA 1.669 16 residues pruned to eliminate duplicates Z: 19 20.001 2.213 0.787 0.465 0.722 0.500 CA 1.710 19 residues pruned to eliminate duplicates Z: 18 22.833 2.288 0.709 0.425 0.882 0.647 CB 1.736 18 residues pruned to eliminate duplicates Z: 18 21.834 2.297 0.861 0.421 0.765 0.588 CB 1.759 18 residues pruned to eliminate duplicates Z: 18 19.716 2.103 0.743 0.485 0.882 0.588 CA 1.501 18 residues pruned to eliminate duplicates Z: 16 22.925 2.479 0.553 0.499 0.800 0.667 CB 1.924 16 residues pruned to eliminate duplicates Z: 9 31.028 2.563 1.027 0.612 1.000 0.875 CB 1.899 9 residues pruned to eliminate duplicates Z: 17 24.722 2.295 0.908 0.534 0.875 0.688 CA 1.560 17 residues pruned to eliminate duplicates Z: 17 22.833 2.266 0.898 0.464 0.812 0.625 CB 1.694 17 residues pruned to eliminate duplicates Z: 16 24.218 2.466 0.689 0.446 0.867 0.733 CA 1.832 16 residues pruned to eliminate duplicates Z: 26 28.479 2.332 0.833 0.392 0.840 0.640 CB 1.779 26 residues pruned to eliminate duplicates Z: 46 48.634 2.463 0.863 0.482 0.867 0.622 CB 1.856 46 residues pruned to eliminate duplicates Z: 33 24.219 2.222 0.723 0.321 0.844 0.562 CB 1.614 33 residues pruned to eliminate duplicates Z: 32 36.670 2.463 0.949 0.376 0.871 0.677 CB 1.799 32 residues pruned to eliminate duplicates Z: 34 33.124 2.374 0.876 0.402 0.818 0.606 CB 1.754 34 residues pruned to eliminate duplicates Z: 18 37.387 2.459 1.349 0.526 0.882 0.706 CB 1.734 18 residues pruned to eliminate duplicates Z: 25 29.280 2.339 1.017 0.496 0.833 0.625 CB 1.526 25 residues pruned to eliminate duplicates Z: 11 18.813 2.241 0.879 0.532 0.900 0.600 CB 1.521 11 residues pruned to eliminate duplicates Z: 97 64.672 2.422 0.878 0.436 0.875 0.635 CB 1.772 109 residues pruned to eliminate duplicates Z: 101 47.398 2.316 0.749 0.379 0.830 0.580 CB 1.604 101 residues pruned to eliminate duplicates Z: 24 29.046 2.421 0.732 0.412 0.870 0.565 CB 1.820 24 residues pruned to eliminate duplicates Z: 17 42.369 2.601 1.319 0.504 0.938 0.688 CB 1.866 17 residues pruned to eliminate duplicates Z: 20 34.155 2.460 1.274 0.486 0.842 0.737 CB 1.687 20 residues pruned to eliminate duplicates Z: 19 33.050 2.363 1.341 0.472 0.889 0.500 CB 1.629 19 residues pruned to eliminate duplicates Z: 15 27.101 2.269 1.140 0.425 0.929 0.786 CA 1.737 15 residues pruned to eliminate duplicates Z: 37 52.086 2.480 1.176 0.569 0.889 0.750 CB 1.694 37 residues pruned to eliminate duplicates Z: 23 41.506 2.521 1.033 0.643 0.818 0.773 CB 1.847 23 residues pruned to eliminate duplicates Z: 20 35.650 2.354 1.182 0.552 0.895 0.789 CB 1.692 20 residues pruned to eliminate duplicates Z: 84 71.172 2.433 1.054 0.476 0.904 0.663 CB 1.772 84 residues pruned to eliminate duplicates Z: 47 54.129 2.459 0.940 0.539 0.891 0.717 CB 1.806 47 residues pruned to eliminate duplicates Z: 90 57.472 2.394 0.889 0.424 0.865 0.573 CB 1.685 90 residues pruned to eliminate duplicates Z: 18 41.177 2.493 0.854 0.692 0.941 0.706 CA 1.926 18 residues pruned to eliminate duplicates Z: 34 49.527 2.562 1.006 0.487 0.879 0.667 CB 1.934 34 residues pruned to eliminate duplicates Z: 86 57.435 2.388 0.849 0.439 0.882 0.635 CB 1.703 86 residues pruned to eliminate duplicates Z: 19 42.774 2.561 0.920 0.665 0.889 0.722 CB 1.980 19 residues pruned to eliminate duplicates Z: 25 36.394 2.389 1.034 0.554 0.917 0.625 CB 1.582 25 residues pruned to eliminate duplicates Z: 88 60.502 2.368 0.902 0.466 0.862 0.621 CB 1.730 88 residues pruned to eliminate duplicates Z: 62 63.653 2.432 0.944 0.504 0.951 0.689 CB 1.806 62 residues pruned to eliminate duplicates Z: 22 46.311 2.601 1.185 0.607 0.857 0.619 CB 1.874 22 residues pruned to eliminate duplicates Z: 17 56.864 2.622 1.261 0.751 0.938 0.688 CB 2.045 17 residues pruned to eliminate duplicates Z: 16 50.648 2.599 1.300 0.763 0.867 0.733 CB 1.999 16 residues pruned to eliminate duplicates Z: 67 57.139 2.365 0.984 0.458 0.894 0.576 CB 1.751 67 residues pruned to eliminate duplicates Z: 39 55.340 2.438 1.273 0.542 0.895 0.737 CB 1.739 39 residues pruned to eliminate duplicates Z: 63 64.325 2.414 1.060 0.497 0.935 0.629 CB 1.762 63 residues pruned to eliminate duplicates Z: 10 5.202 2.015 0.797 0.131 0.667 0.333 CB 1.139 10 residues pruned to eliminate duplicates Z: 80 63.410 2.389 0.965 0.475 0.899 0.633 CB 1.734 80 residues pruned to eliminate duplicates Z: 96 61.577 2.385 0.884 0.461 0.895 0.600 CB 1.635 96 residues pruned to eliminate duplicates Z: 77 54.022 2.327 0.840 0.446 0.921 0.658 CB 1.662 77 residues pruned to eliminate duplicates Z: 47 37.848 2.336 0.765 0.411 0.891 0.609 CB 1.666 47 residues pruned to eliminate duplicates Z: 93 59.234 2.365 0.931 0.423 0.902 0.598 CB 1.624 93 residues pruned to eliminate duplicates Z: 91 59.206 2.387 0.867 0.436 0.878 0.600 CB 1.703 91 residues pruned to eliminate duplicates Z: 38 43.949 2.376 1.073 0.466 0.919 0.459 CB 1.652 38 residues pruned to eliminate duplicates Z: 53 40.304 2.308 0.886 0.387 0.885 0.577 CB 1.636 53 residues pruned to eliminate duplicates Z: 53 39.861 2.282 0.957 0.374 0.885 0.577 CB 1.602 53 residues pruned to eliminate duplicates Z: 84 72.488 2.459 1.101 0.534 0.880 0.699 CB 1.693 84 residues pruned to eliminate duplicates Z: 68 46.634 2.356 0.836 0.401 0.881 0.582 CB 1.660 68 residues pruned to eliminate duplicates Z: 47 38.721 2.270 0.863 0.427 0.913 0.630 CB 1.594 47 residues pruned to eliminate duplicates Z: 66 44.228 2.314 0.872 0.391 0.862 0.646 CB 1.650 66 residues pruned to eliminate duplicates Z: 72 42.508 2.283 0.848 0.376 0.845 0.592 CB 1.616 72 residues pruned to eliminate duplicates Z: 83 57.927 2.360 1.009 0.435 0.866 0.549 CB 1.668 83 residues pruned to eliminate duplicates Z: 66 53.741 2.365 0.961 0.435 0.892 0.585 CB 1.723 66 residues pruned to eliminate duplicates Z: 51 41.547 2.288 1.016 0.416 0.880 0.580 CB 1.579 51 residues pruned to eliminate duplicates Z: 50 41.019 2.304 0.874 0.452 0.898 0.653 CB 1.588 50 residues pruned to eliminate duplicates Z: 67 60.639 2.365 1.044 0.498 0.924 0.621 CB 1.674 67 residues pruned to eliminate duplicates Z: 55 41.025 2.239 0.927 0.412 0.889 0.593 CB 1.597 55 residues pruned to eliminate duplicates Z: 51 46.516 2.304 0.953 0.426 0.960 0.640 CB 1.646 51 residues pruned to eliminate duplicates Z: 68 45.504 2.291 0.840 0.405 0.896 0.537 CB 1.627 68 residues pruned to eliminate duplicates Z: 72 48.903 2.348 0.989 0.380 0.859 0.592 CB 1.643 72 residues pruned to eliminate duplicates Z: 46 43.192 2.318 0.916 0.436 0.911 0.622 CB 1.700 46 residues pruned to eliminate duplicates Z: 54 42.096 2.332 0.912 0.385 0.887 0.604 CB 1.652 54 residues pruned to eliminate duplicates Z: 64 47.384 2.373 0.875 0.401 0.873 0.619 CB 1.705 64 residues pruned to eliminate duplicates Z: 88 59.262 2.366 0.911 0.448 0.885 0.644 CB 1.675 88 residues pruned to eliminate duplicates Z: 50 45.266 2.291 1.021 0.420 0.918 0.673 CB 1.654 50 residues pruned to eliminate duplicates Z: 50 42.750 2.335 0.890 0.390 0.898 0.653 CB 1.732 50 residues pruned to eliminate duplicates Z: 88 58.899 2.387 0.914 0.441 0.874 0.621 CB 1.682 88 residues pruned to eliminate duplicates Z: 64 52.427 2.310 0.978 0.427 0.905 0.651 CB 1.724 64 residues pruned to eliminate duplicates Z: 64 48.757 2.336 0.891 0.430 0.889 0.635 CB 1.682 64 residues pruned to eliminate duplicates Z: 85 60.251 2.404 1.060 0.438 0.833 0.595 CB 1.699 85 residues pruned to eliminate duplicates Z: 46 48.009 2.370 0.984 0.449 0.933 0.689 CB 1.718 46 residues pruned to eliminate duplicates Z: 80 71.221 2.411 1.081 0.497 0.924 0.684 CB 1.733 80 residues pruned to eliminate duplicates Z: 70 61.727 2.400 0.936 0.475 0.942 0.580 CB 1.742 70 residues pruned to eliminate duplicates Z: 67 62.697 2.389 1.018 0.483 0.939 0.636 CB 1.732 67 residues pruned to eliminate duplicates Z: 53 39.841 2.296 0.912 0.391 0.865 0.577 CB 1.632 53 residues pruned to eliminate duplicates Z: 141 67.689 2.372 0.826 0.428 0.871 0.600 CB 1.633 141 residues pruned to eliminate duplicates Z: 94 57.207 2.354 0.958 0.408 0.839 0.570 CB 1.691 94 residues pruned to eliminate duplicates Z: 61 45.943 2.290 0.869 0.419 0.883 0.617 CB 1.707 61 residues pruned to eliminate duplicates Z: 49 40.366 2.261 0.846 0.415 0.917 0.667 CB 1.665 49 residues pruned to eliminate duplicates Z: 54 44.432 2.328 0.930 0.391 0.906 0.660 CB 1.684 54 residues pruned to eliminate duplicates Z: 51 39.344 2.283 0.978 0.416 0.860 0.680 CB 1.564 51 residues pruned to eliminate duplicates Z: 45 46.052 2.319 0.988 0.449 0.932 0.659 CB 1.702 45 residues pruned to eliminate duplicates Z: 55 43.789 2.293 1.003 0.386 0.889 0.648 CB 1.648 55 residues pruned to eliminate duplicates Z: 49 44.097 2.333 0.963 0.407 0.896 0.625 CB 1.711 49 residues pruned to eliminate duplicates Z: 71 61.056 2.398 1.062 0.460 0.900 0.629 CB 1.708 71 residues pruned to eliminate duplicates Z: 63 49.455 2.314 1.054 0.426 0.871 0.661 CB 1.639 63 residues pruned to eliminate duplicates Z: 159 83.997 2.393 0.888 0.457 0.899 0.620 CB 1.719 159 residues pruned to eliminate duplicates Z: 72 61.410 2.372 1.075 0.458 0.915 0.606 CB 1.688 72 residues pruned to eliminate duplicates Z: 71 46.361 2.302 0.809 0.384 0.914 0.614 CB 1.647 71 residues pruned to eliminate duplicates Z: 63 48.041 2.285 0.935 0.408 0.903 0.645 CB 1.682 63 residues pruned to eliminate duplicates Z: 95 63.488 2.373 0.938 0.468 0.883 0.638 CB 1.666 95 residues pruned to eliminate duplicates Z: 79 53.272 2.327 0.977 0.420 0.859 0.654 CB 1.659 79 residues pruned to eliminate duplicates Z: 26 19.475 2.261 0.651 0.317 0.840 0.520 CB 1.521 Z: 6 2.546 1.694 0.342 0.301 0.600 0.400 CA 1.042 6 residues pruned to eliminate duplicates Z: 64 51.240 2.340 1.031 0.421 0.873 0.635 CB 1.690 90 residues pruned to eliminate duplicates Z: 24 17.730 2.310 0.648 0.299 0.783 0.478 CB 1.553 Z: 6 4.539 1.576 1.229 0.263 0.600 0.600 CA 1.263 6 residues pruned to eliminate duplicates Z: 64 47.637 2.313 0.864 0.404 0.905 0.619 CB 1.702 88 residues pruned to eliminate duplicates Z: 68 55.008 2.363 1.115 0.408 0.881 0.657 CB 1.682 68 residues pruned to eliminate duplicates Z: 69 46.182 2.292 0.919 0.371 0.868 0.588 CB 1.685 69 residues pruned to eliminate duplicates Z: 71 49.411 2.296 0.970 0.394 0.886 0.614 CB 1.649 71 residues pruned to eliminate duplicates Z: 25 22.696 2.334 0.769 0.311 0.833 0.500 CB 1.660 Z: 6 10.009 1.786 1.325 0.456 1.000 0.800 N 1.127 31 residues pruned to eliminate duplicates Z: 36 37.653 2.380 1.073 0.391 0.857 0.514 CB 1.689 36 residues pruned to eliminate duplicates Z: 24 30.993 2.424 1.246 0.360 0.783 0.565 CB 1.763 24 residues pruned to eliminate duplicates Z: 51 52.617 2.460 0.963 0.484 0.880 0.520 CB 1.780 51 residues pruned to eliminate duplicates Z: 51 57.848 2.462 0.967 0.507 0.940 0.540 CB 1.785 51 residues pruned to eliminate duplicates Z: 10 14.900 2.333 0.994 0.402 0.667 0.333 CA 1.776 10 residues pruned to eliminate duplicates Z: 49 49.090 2.456 0.866 0.482 0.875 0.562 CB 1.800 49 residues pruned to eliminate duplicates Z: 45 44.228 2.367 0.862 0.494 0.886 0.614 CB 1.717 45 residues pruned to eliminate duplicates Z: 9 20.702 2.476 1.253 0.483 0.750 0.625 CB 1.779 9 residues pruned to eliminate duplicates Z: 22 30.689 2.507 1.128 0.351 0.810 0.571 CB 1.822 22 residues pruned to eliminate duplicates Z: 59 56.125 2.457 0.835 0.469 0.931 0.517 CB 1.811 59 residues pruned to eliminate duplicates Z: 45 36.386 2.322 0.674 0.461 0.909 0.523 CB 1.616 45 residues pruned to eliminate duplicates Z: 23 21.361 2.377 0.814 0.245 0.818 0.500 CB 1.733 23 residues pruned to eliminate duplicates Z: 21 19.675 2.351 0.721 0.271 0.850 0.450 CB 1.660 21 residues pruned to eliminate duplicates Z: 49 41.764 2.377 0.672 0.439 0.938 0.562 CB 1.723 49 residues pruned to eliminate duplicates Z: 66 52.321 2.436 0.860 0.404 0.908 0.569 CB 1.745 66 residues pruned to eliminate duplicates Z: 66 54.875 2.368 0.830 0.514 0.923 0.677 CB 1.678 66 residues pruned to eliminate duplicates Z: 23 29.597 2.514 1.257 0.374 0.727 0.591 CB 1.749 23 residues pruned to eliminate duplicates Z: 57 49.654 2.378 0.818 0.423 0.929 0.554 CB 1.791 57 residues pruned to eliminate duplicates Z: 25 26.827 2.503 0.868 0.346 0.792 0.458 CB 1.749 25 residues pruned to eliminate duplicates Z: 52 43.641 2.352 0.715 0.490 0.902 0.529 CB 1.697 52 residues pruned to eliminate duplicates Z: 79 60.567 2.428 0.834 0.489 0.897 0.679 CB 1.736 79 residues pruned to eliminate duplicates Z: 37 43.773 2.365 0.860 0.577 0.917 0.500 CB 1.681 37 residues pruned to eliminate duplicates Z: 44 53.488 2.505 0.914 0.517 0.930 0.628 CB 1.798 44 residues pruned to eliminate duplicates Z: 39 44.478 2.425 0.698 0.542 0.974 0.605 CB 1.727 39 residues pruned to eliminate duplicates Z: 66 59.648 2.469 0.962 0.459 0.892 0.569 CB 1.785 66 residues pruned to eliminate duplicates Z: 38 38.248 2.423 0.734 0.515 0.865 0.568 CB 1.704 38 residues pruned to eliminate duplicates Z: 47 37.472 2.337 0.841 0.435 0.826 0.478 CB 1.662 47 residues pruned to eliminate duplicates Z: 77 61.150 2.448 0.855 0.512 0.895 0.632 CB 1.705 77 residues pruned to eliminate duplicates Z: 79 65.499 2.451 0.906 0.514 0.885 0.628 CB 1.770 79 residues pruned to eliminate duplicates Z: 57 58.868 2.424 0.845 0.576 0.946 0.625 CB 1.726 57 residues pruned to eliminate duplicates Z: 56 47.108 2.445 0.737 0.453 0.891 0.509 CB 1.762 56 residues pruned to eliminate duplicates Z: 34 38.054 2.326 0.680 0.572 0.939 0.545 CB 1.683 34 residues pruned to eliminate duplicates Z: 78 65.697 2.447 0.846 0.523 0.922 0.610 CB 1.757 78 residues pruned to eliminate duplicates Z: 60 50.281 2.406 0.841 0.468 0.881 0.559 CB 1.732 60 residues pruned to eliminate duplicates Z: 42 44.516 2.443 0.706 0.534 0.927 0.634 CB 1.741 42 residues pruned to eliminate duplicates Z: 80 63.866 2.415 0.916 0.486 0.911 0.570 CB 1.728 80 residues pruned to eliminate duplicates Z: 80 67.389 2.464 0.928 0.532 0.899 0.633 CB 1.721 80 residues pruned to eliminate duplicates Z: 42 36.571 2.360 0.805 0.430 0.854 0.512 CB 1.689 42 residues pruned to eliminate duplicates Z: 50 53.578 2.408 0.988 0.532 0.898 0.571 CB 1.726 50 residues pruned to eliminate duplicates Z: 56 66.425 2.459 0.961 0.570 0.982 0.618 CB 1.767 56 residues pruned to eliminate duplicates Z: 67 61.340 2.423 0.921 0.525 0.939 0.545 CB 1.685 67 residues pruned to eliminate duplicates Z: 56 66.443 2.474 0.948 0.597 0.982 0.655 CB 1.726 56 residues pruned to eliminate duplicates Z: 31 39.657 2.300 0.878 0.630 0.933 0.533 CB 1.590 31 residues pruned to eliminate duplicates Z: 73 63.962 2.429 0.963 0.517 0.917 0.597 CB 1.696 73 residues pruned to eliminate duplicates Z: 28 42.240 2.363 0.959 0.618 0.926 0.556 CB 1.696 28 residues pruned to eliminate duplicates Z: 57 66.723 2.450 1.008 0.582 0.964 0.625 CB 1.738 57 residues pruned to eliminate duplicates Z: 67 62.888 2.472 1.065 0.453 0.879 0.500 CB 1.811 67 residues pruned to eliminate duplicates Z: 78 58.739 2.451 0.872 0.486 0.844 0.584 CB 1.754 78 residues pruned to eliminate duplicates Z: 47 39.537 2.303 0.848 0.480 0.891 0.522 CB 1.569 47 residues pruned to eliminate duplicates Z: 69 66.007 2.456 1.049 0.517 0.926 0.574 CB 1.687 69 residues pruned to eliminate duplicates Z: 56 51.287 2.450 0.968 0.443 0.873 0.582 CB 1.742 56 residues pruned to eliminate duplicates Z: 57 63.797 2.431 0.984 0.587 0.946 0.643 CB 1.718 57 residues pruned to eliminate duplicates Z: 120 56.927 2.304 0.858 0.386 0.866 0.546 CB 1.588 120 residues pruned to eliminate duplicates Z: 32 41.586 2.436 0.994 0.501 0.935 0.742 CB 1.643 32 residues pruned to eliminate duplicates Z: 46 43.101 2.449 0.812 0.476 0.889 0.533 CB 1.670 46 residues pruned to eliminate duplicates Z: 78 68.515 2.483 0.963 0.505 0.909 0.610 CB 1.753 78 residues pruned to eliminate duplicates Z: 58 62.187 2.430 0.928 0.580 0.947 0.684 CB 1.719 58 residues pruned to eliminate duplicates Z: 32 37.783 2.384 0.940 0.491 0.935 0.677 CB 1.583 32 residues pruned to eliminate duplicates Z: 57 56.193 2.401 0.802 0.587 0.929 0.661 CB 1.720 57 residues pruned to eliminate duplicates Z: 32 39.325 2.408 0.847 0.531 0.903 0.710 CB 1.705 32 residues pruned to eliminate duplicates Z: 77 74.319 2.505 0.963 0.548 0.934 0.618 CB 1.771 77 residues pruned to eliminate duplicates Z: 55 67.521 2.489 0.988 0.597 0.944 0.648 CB 1.793 55 residues pruned to eliminate duplicates Z: 35 41.319 2.372 0.915 0.499 0.971 0.706 CB 1.608 35 residues pruned to eliminate duplicates Z: 78 63.007 2.457 0.935 0.524 0.857 0.623 CB 1.720 78 residues pruned to eliminate duplicates Z: 74 65.865 2.465 1.040 0.520 0.890 0.589 CB 1.688 74 residues pruned to eliminate duplicates Z: 31 47.186 2.478 1.060 0.538 0.967 0.667 CB 1.683 31 residues pruned to eliminate duplicates Z: 20 40.255 2.407 1.036 0.686 0.947 0.789 CB 1.678 20 residues pruned to eliminate duplicates Z: 31 46.313 2.482 1.101 0.523 0.967 0.667 CB 1.639 31 residues pruned to eliminate duplicates Z: 101 66.137 2.400 0.908 0.470 0.890 0.570 CB 1.673 101 residues pruned to eliminate duplicates Z: 21 39.230 2.284 1.063 0.651 0.950 0.650 CB 1.702 21 residues pruned to eliminate duplicates Z: 57 67.561 2.461 1.037 0.595 0.946 0.696 CB 1.738 57 residues pruned to eliminate duplicates Z: 72 64.111 2.470 0.995 0.513 0.887 0.563 CB 1.718 72 residues pruned to eliminate duplicates Z: 78 65.367 2.457 1.017 0.533 0.844 0.519 CB 1.724 78 residues pruned to eliminate duplicates Z: 57 65.405 2.463 0.989 0.593 0.946 0.679 CB 1.724 57 residues pruned to eliminate duplicates Z: 22 34.819 2.242 0.996 0.661 0.905 0.667 CB 1.616 22 residues pruned to eliminate duplicates 361 residues left after pruning, divided into chains as follows: A: 154 B: 7 C: 132 D: 68 CC for partial structure against native data = 39.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.539, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.623, Connect. = 0.788 for dens.mod. cycle 2 = 0.300, Contrast = 0.736, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.749, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.763, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.768, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.776, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.778, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.779, Connect. = 0.827 for dens.mod. cycle 10 TimeTaking 249.47